# cif

formula: Mo2 Rb P3 O12
compound: <missing>
formula_title: Mo2 O12 P3 Rb
a: 8.8314
b: 9.2368
c: 12.3051
alpha: 90
beta: 90
gamma: 90
cell_volume: 1003.775
crystal_density: 3.721
atoms_sites: ["Mo1", "Rb1", "P1", "P2", "O1", "O2", "O3", "O4", "O5", "O6", "O7"]
atoms_x: 4AsPADiD9P8wfP7/YPAYAPj/DABwfgcAWFkSAHinFwCwAxoA6EUEAFANFgA=
atoms_y: 0LUBAJj0CQBAQg8AKP4VAFAEAQDo3/b/wAUDACAfDAB4evn/gPgJALgGGQA=
atoms_z: GCgGAEBCDwAAAAAAUO4HAEBCDwDIHwQASDT8/5B3BwCQ9QYAQOgEAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Small atomic displacements in the molybdenophosphates
 AMo2P3O12 (A = K, Rb, Tl)
 _cod_database_code 1001350

qdat:
AAAAAAAAAAABAAAAIgEACACCQCIiIQKIBBwEypIFBkcgReROXfszsKwtKXst7n2/j3U39q/T+7rzt+fv+937//n/b/f/d+31////3/77//f/++99/////+///3nf/+//+//3e////5/tf/P792/Dtd5G3XUy6Fm6ykzJsg==


formula: Mo2 K P3 O12
compound: <missing>
formula_title: K Mo2 O12 P3
a: 17.6398
b: 9.1761
c: 12.3000
alpha: 90
beta: 90
gamma: 90
cell_volume: 1990.934
crystal_density: 3.442
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Small Atomic Displacements in the Molybdenophospates A Mo2 P3 O12
 (A= K, Rb, Tl)
 _cod_database_code 1001361

atoms_sites:
["Mo1", "Mo2", "K1", "K2", "P1", "P2", "P3", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "O11", "O12", "O13", "O14"]

atoms_x:
8GcHAFCZBwBYHwYAaPIEAKjoAADgiwwAcB8MAEBkBgBggAYAQHEDANBiBADgXAkAeJMIAODICwCQeAsAWFQNAIjjDABYCgIAMNMBAAj8CgDwbgoA

atoms_y:
WL8BANjsHAAotCgAmGszAACbLQBI8hUAkOAHANiPAQAYzx0A0Kz2/zB1KABwvxsAMDcCABAvDABQ2hEAgGAkADg4+f+4CwoAYKMVAED3GABY7gQA

atoms_z:
2DUGAAi1JABAQg8AwMYtANAbAAAo6QcACIEmAEBCDwDAxi0AoPsEAICtIgAY1xoAqC78/wA6BwAQASYAGNYlAGA5BwDo0QQAOPAiAEBCDwDAxi0A

qdat:
AAAAAAAAAAIBAASEEgkCBIBCCyYS2QZYAy1L65OUx2ex+6ddbe+n2b//+////jff7z/f/+v9/9/63+v3//////7/f//////3//8///////36v//bX+39v/f//erf9/95fZ+1T27tzSrWCbtWIEiEICQAgAIAAAAAAAAAAA==


formula: Mo2 Rb P3 O12
compound: <missing>
formula_title: Mo2 O12 P3 Rb
a: 8.8314
b: 9.2368
c: 12.3051
alpha: 90
beta: 90
gamma: 90
cell_volume: 1003.775
crystal_density: 3.721
atoms_sites: ["Mo1", "Rb1", "P1", "P2", "O1", "O2", "O3", "O4", "O5", "O6", "O7"]
atoms_x: 4AsPADiD9P8wfP7/YPAYAPj/DABwfgcAWFkSAHinFwCwAxoA6EUEAFANFgA=
atoms_y: 0LUBAJj0CQBAQg8AKP4VAFAEAQDo3/b/wAUDACAfDAB4evn/gPgJALgGGQA=
atoms_z: GCgGAEBCDwAAAAAAUO4HAEBCDwDIHwQASDT8/5B3BwCQ9QYAQOgEAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Small Atomic Displacements in the Molybdenophospates A Mo2 P3 O12
 (A= K, Rb, Tl)
 _cod_database_code 1001362

qdat:
AAAAAAAAAAABAAAAIgEACACCQCIiIQKIBBwEypIFBkcgReROXfszsKwtKXst7n2/j3U39q/T+7rzt+fv+937//n/b/f/d+31////3/77//f/++99/////+///3nf/+//+//3e////5/tf/P792/Dtd5G3XUy6Fm6ykzJsg==


formula: U Na B O5
compound: <missing>
pub_title: Synthese et structure du borouranate de sodium, Na B U O5. _cod_database_code 1001359
formula_title: B Na O5 U
a: 10.712
b: 5.780
c: 6.862
alpha: 90
beta: 90
gamma: 90
cell_volume: 424.863
crystal_density: 5.500
atoms_sites: ["U1", "Na1", "B1", "O1", "O2", "O3", "O4"]
atoms_x: IB0EAEBCDwDw/jMAMCoZAKDIKACgzg4AEGAcAA==
atoms_y: sPkFAHCdJABwoDAAgNwHAIBTCQCQcBMAAPEnAA==
atoms_z: QEIPAAAAAABAQg8AUHgZAEBCDwBAQg8AQEIPAA==
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAABAAAAAAAAAECAAAACCAAIGAgAEAZGAYEQIRACiIJiQQRoIWAKKSJvDSUISiXoTiMWSoXoTyp6KSujbPiJie+X3aeDW/rUvt0an7r3+lX/u1ndte/Gv/uvd69c/37f74/Z5//f8+0/z9++f1v//79+m+96x9/q==


formula: Ca U2 Si2 O17 H12
compound: Bois Noirs du Puy-de-Dome, France
pub_title: Structure de l'uranophane alpha, Ca(UO2)2(SiO3OH)2*5H2O
formula_title: <missing>
a: 15.909
b: 7.002
c: 6.665
alpha: 90
beta: 97.27
gamma: 90
cell_volume: 736.478
crystal_density: 3.862
atoms_occupancy: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
atoms_sites:
["Ca", "U1", "U2", "Si1", "Si2", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "O11", "O12", "Ow1", "Ow2", "Ow3", "Ow4", "Ow5", "H1", "H2", "H11", "H12", "H21", "H22", "H31", "H32", "H41", "H42", "H51", "H52"]

atoms_x:
IOMuAMBYAADAIuH/EAICAHB53/8QSAcAcDPa/8Bu+f/ADOj/YDUBACBG4P8ASwAAgDDh/zCz/v9QyOL/oCoIAOBQ2f/g/DEA4GUtANDsKQDwWi0AcHouACCPCgAACigA4Gc1AED/LgBAPBAAAIEpAGBmFgAg4hEAIKUwAMBbKgAAzjEAYGUrAA==

atoms_y:
0LopAGi9LwAgQtD/wBARAEDv7v9A2jAAwCXP/8B1LgBAitH/AAccAAD54/+AfgYAgIH5/5B8EQBwg+7/sGwQAFCT7/8wuRYAkOIAABChJgDAnR8AMNMBAAD/FABg7xQAgEkTAIBJEwAgHR0AwD8FAAA7CwAgrQUAgJAcAMA+GgAgpwYAICQHAA==

atoms_z:
cOMQAMAtCABA0vf/UMgUALA36/+QgAgAcH/3/4CRBwCAbvj/kG4LAHCR9P9QNgsAsMn0//ArIAAQ1N//IBYaAODp5f8gLhYAQIYMANCGIQBQFjoA0LUuAGDdFwAgrBoAYGAXAGB+EgCgJDsAQMUOACApGwAACxMA4GE2AGCOOQCADDIAYGsqAA==

atoms_u_iso:
MAEBANhyAADYcgAASJ4AAEieAADgKAEA4CgBAAgVAQAIFQEAqNkAAKjZAACA7QAAgO0AAIDtAACA7QAAQGQBAEBkAQBwZQIA0KACANCgAgBQswEAQLwIAJAXAwCQFwMAkBcDAJAXAwCQFwMAkBcDAJAXAwCQFwMAkBcDAJAXAwCQFwMAkBcDAA==

qdat:
AAAAAACAAAAAAIABIAgBgBAIBAEgABHCCRBhogFFoIUFSIPWLVggYxhVwcA3wvG6GfdH2G8zzQWy/6k+vfz6+KKfv6n+/mU+2f1X7137X/+/z//vtfd1+7dvPvf/3u/Lfy+2ur7v/V+95/+/fu+ft279/df3f8/5y7d7/b==


formula: Bi2 O3
compound: <missing>
pub_title: The structure of beta-Bi2O3 from powder neutron diffraction data
formula_title: <missing>
a: 7.739
b: 7.739
c: 5.636
alpha: 90
beta: 90
gamma: 90
cell_volume: 337.552
crystal_density: 9.169
atoms_sites: ["Bi", "O1", "O2"]
atoms_x: 4A8BABC7EQAAAAAA
atoms_y: kIgPANASEwCAhB4A
atoms_z: kI4OAOC+AQCwChgA
atoms_occupancy: 0
atoms_u_iso: sNsAAHBSAQBA+wAA
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAAAAQAAAgAAAgAAIAAAAEAQIAABBACAiBBAAAQIQBCMBAEIAIACAiIgQkBAYQFQJQIxICISCSCoJCjJIDGGUIMMKgWqGIIVTGoYXWIdQMC3WYyITiozZYi63Iy19ot8k/YybufxormfOq3H2Kk1Xc2X==


formula: Co S O10 H12
compound: Synthetic
pub_title: Refinement of the crystal structure of CoSO4*6H2O
formula_title: <missing>
a: 10.022
b: 7.217
c: 24.224
alpha: 90
beta: 98.42
gamma: 90
cell_volume: 1733.207
crystal_density: 2.016
atoms_occupancy: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
atoms_sites:
["Co1", "Co2", "S", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "H51", "H52", "H61", "H62", "H71", "H72", "H81", "H82", "H91", "H92", "H101", "H102"]

atoms_x:
AAAAAAAAAABQAjUA4EAvAFDxOwDA7jcAQMEwAFBoJABApCAAgMwSABD2NQBgIzYAUGw0AKAfJwCAbCIAYLkdAEDEIwDgSxAAgE8SAGC+MQAALTcAgI8xAOBbNwAgkzMAwDcwAA==

atoms_y:
AAAAABDeOQCAlhsA4M0kAOA7GwCQYB4AEKgQACAnLABwHBQAQNAhAPCcCQDQcC0AIAU6AKCKKgDghTAAQNEMAECnEwDAox4AYAYmAMAnCQAgZREAwNIrAEDhMwAgNgQAQMM4AA==

atoms_z:
AAAAAEBCDwBQmQcA0DsIAABaCgAATAQA8EQHAEDCAgCgKQQA8E8BAMApEQBANhEAoOYKAICjBAAgPAMAAOgDAEB+BQCgDwAAwM4CAMB6EAAAlBEAgFURAAAREgCAfwoAoEQMAA==

atoms_u_iso:
AEUBALAXAQAwVgEA4L4BAMCcAgAgQgIAIN4BAJDcAQBQngIAQJACAFDWAQDAUQIAEE0CAAB3AQCghgEAYGcBAOAcAwBAkAIAQBMCAGBVBACggAIAoHoDAKCAAgBgZwEAAGsDAA==

qdat:
AAAAAAAACAAAAAAAAEhACQAQgAQAAsIBAhBjtiBYCwYGLUoQjYEY3hNc2BzNKBxLw2OBcq8d+szLxqsV4l2IlJ08rP9xvpbGXbNYezedVzr6/m261oXk9p0y1dnNpeXMeL0965LsjVV0z6ziy/S86e7W7LUMFHqyMilwxN==


formula: Mo4 P6 Si2 O25
compound: <missing>
formula_title: Mo4 O25 P6 Si2
a: 14.705
b: 14.705
c: 7.3986
alpha: 90
beta: 90
gamma: 120
cell_volume: 1385.512
crystal_density: 3.688
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Mo4 P6 Si2 O25, an Mo(^III^) phosphosilicate closely related to
 V3 P5 Si O19: oxygen non-stoichiometry in silicophosphates.
 _cod_database_code 1001363

atoms_sites:
["Mo1", "Mo2", "P1", "P2", "P3", "Si1", "Si2", "Si3", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "O11", "O12", "O13", "O14"]

atoms_x:
oLQUAFAPFAAAqRoAgDkFAMBSBgAAAAAAVVgUADCo6/9wlwwAEGMPAOBAFgAw+RwAcEMaACB4EgBgMg4AkL0bAJCuEQCwNwQAAAAAABDDGADAl+7/MKjr/w==

atoms_y:
EMcUAODoEwDgggsAUAsOAIDZ4v8AAAAAMKjr/1VYFACgaxIAgFQNAJB1DgCgGxcAYBAcAMCiGgCwigsAgB4WAKAoGQAQLwcAAAAAANDY8v/gGRAAVVgUAA==

atoms_z:
EHgEAGDqGQDQQw8AYBMPAGCQDwBwqxEAMCcNALAzDQBgyA4AgGL6/2CWDgCgqvv/IFIQAGBZ+//wrOX/UOLm/2CM5v8gzgwAgIQeAEA2EQAgZREA8AoAAA==

qdat:
AAAAAAAAQAAAAAQAMAAAQDAACAgAMGADDAADAGEAYwGMBnATAZgZgLAFD0K4LhkLQfDoyAx2Two+Ph8eehys/Pfn4018fedlPm17vlvvk7tffWb73W//z7epl/+/PqZ//1X3pb76z5qV/Hvaqe/bmT11LPsPVknxrHyiIN==


formula: Ni S O10 H12
compound: Synthetic
pub_title: Polymorphism of nickel sulfate hexahydrate
formula_title: <missing>
a: 6.780
b: 6.780
c: 18.2850
alpha: 90
beta: 90
gamma: 90
cell_volume: 840.532
crystal_density: 2.077
atoms_sites: ["Ni", "S", "O4", "O5", "O1", "O2", "O3", "H11", "H12", "H21", "H22", "H31", "H32"]
atoms_x: ENkMANBKKwCw6CUAAFk4AHCKCgCQtxwAIAQEAMC2BgAAKQ4AQFMhACALIACAOAEAwGP//w==
atoms_y: ENkMANBKKwDA3SUAUBgpANAZ/f+w9Q4A8LgVAEDS9/9gCPz/wKQJAAB8FQAA2xoAABcRAA==
atoms_z: AAAAAAAAAACwBQQAIAMAAAA5AwCQbAMAsDEFAGBhAgAAXwUAoP0CAGDYAwAAZQQA4AQHAA==
atoms_occupancy: 0
atoms_u_iso: yM0AAGD5AAAA2wEAgKEBAGCtAQBgTgEAwDQBAPBSAwBIeQIAANsBAPiMAgBgFgIAqLQCAA==
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAEAAQABBQCAAAAABKEAEoICEACEQiBRCCDYSBAhkOjKIKQJiayFliSpgw5ChJBYl1mBpZki4o4D5SLB+kWrfUolQtWiyVK9kvn+NpsHdJHVPOuuTdE1F13vhsoZb39Sv1qPW9MaMUzdFe1t17a7XN/V==


formula: Ni S O10 H12
compound: Synthetic
pub_title: Polymorphism of nickel sulfate hexahydrate
formula_title: <missing>
a: 9.880
b: 7.228
c: 24.1300
alpha: 90
beta: 98.38
gamma: 90
cell_volume: 1704.789
crystal_density: 2.048
atoms_occupancy: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
atoms_sites:
["Ni1", "Ni2", "S", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "H51", "H52", "H61", "H62", "H71", "H72", "H81", "H82", "H91", "H92", "H101", "H102"]

atoms_x:
AAAAAICEHgDwKjUAEDkvAMAIPADAOTgAkO4wAOCmBQDgOv7/EJQLAKBmFwCwjRcAEFAnAOD+BwCArwIAYG0AAMCH+f8ggwwAQL8PAOAtFQCAnBoAQIMZAIDMEgBArCcAYH0nAA==

atoms_y:
AAAAAIB9GwBAkBsAkIckAJBZGwCgCh4AgI0QAGCDDQAAxAkAcGH8/1DTJwAQlQ8A0HgbAKDHCwBghBEAwIAPAKBKCwDAjfj/IFr+/0C4JQCAMCwAYK4KAKC1DgBAGBYAYCogAA==

atoms_z:
AAAAAEBCDwAQkwcAECkIAPBkCgCQTQQAID0HADCbAgBwsvv/QMH+/zAoEQDAQhEAAIgTAGBVBAAgPAMAYAj8/8D++v8gYP3/gMH//2B+EgDA8REAwPERAMB6EADgsBQA4LAUAA==

atoms_u_iso:
MGoBANAuAQAwagEAoPQBAHjGAgCQYwIAaA4CALD4AQDIngIAKNoCAJClAQCQ+gEAeAgCAAjwAgD4jAIAeHoDACBUBADQewQAEAUEAGgrAwDIZgMA8FIDAMhmAwA48QMA2LUDAA==

qdat:
AAAAAAAABAAAAAAAAEhACEAQIAYAAuIBARAY7FAUBMRDB0mQDqEGGkjWKJ/VnB1LOiyxKicS38rqNWfavRVsw7f92v39xaUmh/S2K10lbXO+b17q8Wjb/f9r113d4qVXhNZye3XJhx1U16+rT13bmc5u3FMGFDdzEMWZMW==


formula: Na3.4 Ce1.2 Ca1.16 Sr.24 C5 O15
compound: Nlende, Kribi, Cameroun
pub_title: Structure de Na3M3(CO3)5 (M = Terre Rare, Ca Na Sr), rattache a la burbankite
formula_title: <missing>
a: 10.412
b: 10.414
c: 6.291
alpha: 90
beta: 90
gamma: 119.80
cell_volume: 591.935
crystal_density: 3.444
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
atoms_sites:
["Na1", "Na2", "Na3", "CeM1", "CaM2", "NaM2", "SrM2", "CeM2", "CaM3", "NaM3", "SrM3", "CeM3", "C1", "C2", "C3", "C4", "C5", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "O11", "O12", "O13", "O14", "O15"]

atoms_x:
ABHg/2Aa4P9wysX/sKbM/3CP7P9wj+z/cI/s/3CP7P/AtMz/wLTM/8C0zP/AtMz/AAAAAEA01//QBNv/QNHz/3Di8//gLwQAQAcEAGBx9//whNv/QGfb/yCyzv9QntD/wLXQ//Dk5P+AYNn/YGI4AMAz7v9gYjgAwJjZ/6BJ7v8=

atoms_y:
ACv9/yDyHwDg6x8AUFkzANBMMwDQTDMA0EwzANBMMwAAZtb/AGbW/wBm1v8AZtb/sAQAALCb6/9g8wsAUPXn/3DoCwCgkfv/0H3L/8Ct+/8gVyQAEFb0/7BxJABgfy8AEETe/0B8LwAAp8f/QKrU/wBx6f8wiyYAcLvU/9DHx/8=

atoms_z:
oB3t/3AM7f+AGu3/AAAAAFAtAABQLQAAUC0AAFAtAACADAAAgAwAAIAMAACADAAAoKbr/yCTAQCQ9P3/oOn9/3DY/f9wruv/cErr/zAr6//wmgEA8E8BALB7AQBwtOr/gMLq/2DY6v/A9/f/IAH4/wDl9/+QMfj/YO73/5AY+P8=

atoms_occupancy:
AAk9AAAJPQAACT0AAAk9AIBmIwAANQwAAFMHAIAaBgCAZiMAADUMAABTBwCAGgYAAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQA=

atoms_u_iso:
4CgBAOAoAQCQPAEA6MsAANjRAADY0QAA2NEAANjRAADA1QAAwNUAAMDVAADA1QAAqNkAAIDtAACo2QAAmIoAACCyAAAoxwEAANsBAIgCAgDwdwEA8HcBAMiLAQAIFQEA4CgBAOAoAQCQPAEAkDwBAOAoAQDgKAEAkDwBAJA8AQA=

qdat:
AAAAAAAAAAACAAAACAAAoAAQAAgAEACAAIBIAAFAUBAEAwIAQIkIQ9AiAgiAdIKEkQHESGEkLIQQkj0iQ1D0gSJHKjVAqWVQYqOhPnOofqZWcl9LrU4fW9TIPa/bnMciyq9X+WHSaXouP9uYrWeNU1PUp95vp+i5fvR9dd==


formula: Nb2 P3 O12
compound: <missing>
formula_title: Nb2(PO4)3
a: 8.6974
b: 8.6974
c: 22.12299
alpha: 90
beta: 90
gamma: 120
cell_volume: 1449.283
crystal_density: 3.236
atoms_sites: ["Nb1", "P1", "O1", "O2"]
atoms_x: AAAAANA3EQDAUwoAwEcMAA==
atoms_y: AAAAAAAAAABwPP7/gGYKAA==
atoms_z: +J8IAEBCDwDw2wsAQJcFAA==
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 A mixed-valence niobium phosphate with an empty nasicon structure: Nb2(PO4)3
 _cod_database_code 1001855

qdat:
AAAAAAAAAAAAAAAABAAAAAAEQAAAoIAAACAAAwgAIKACAAAgQscgBEBEoABAxIBGIoAIAiQEoiQAjOgSCgCJSQTFwABKCQQAKtCQaAjgEqgQSgZaBNwoQENQpcCeizAr4QUAKg5ACxIoLYoQU0d4JQrgigEgzBuIaVQGyi==


formula: N2 H20 Fe S2 O14
compound: Synthetic
pub_title: The structure of (ND4)2Fe(SO4)2*6D2O at 4.3 K by neutron diffraction
formula_title: <missing>
a: 9.167
b: 12.405
c: 6.305
alpha: 90
beta: 106.71
gamma: 90
cell_volume: 686.707
crystal_density: 1.896
atoms_occupancy: 0
atoms_sites:
["N", "H11", "H12", "H13", "H14", "Fe", "S", "O3", "O4", "O5", "O6", "O5", "O6", "O7", "H15", "H16", "H17", "H18", "H19", "H20"]

atoms_x:
IFAIAABMBADwAQ4AoEIEAEBgCgAAAAAA4C4ZAJCwGQBguiEAIBoRAKDKFwDw+goA0Pj1/6D2///A1w0A4OcPAECe7//wJ/f/QCr6/6CGAQA=

atoms_y:
MMUUALAiFABAzBEA0KgTAPCgGQAAAAAAQO8HABCIDQBgCgQA4MsDAOCICgCwjwYAsCUHAFCv+//gWwUAYCoHABAcBgCAqwsA4Eb8/3AC9/8=

atoms_z:
4HgVACC7CwAwsxcAYKwbAJDCFgAAAAAA0NosAMDQIwBwpi8A4MclAGCOOQCAZgoAoNEBAHBzEgBQzhMAUCIGALBn/P+Qnf//sNEUANAMFAA=

atoms_u_iso:
0FIAAMAlAQBQJwEAABMBAHARAQCAJQAAkBoAAABLAABgVAAAMEMAAJBMAACgWgAAYFQAAKBaAAAQ7wAAIBYBALDlAACA7QAAsBcBAKDwAAA=

atoms_aniso_label:
["N", "H11", "H12", "H13", "H14", "Fe", "S", "O3", "O4", "O5", "O6", "O5", "O6", "O7", "H15", "H16", "H17", "H18", "H19", "H20"]

atoms_aniso_u11:
UF8AAJBfAQCg8AAAkBQBAJBGAQDAKwAAsB0AALBoAACAPgAAoEEAAPBuAAAwXAAAEFkAAPBuAADwBAEAEO8AAJCXAADwBAEAkPsAAMAlAQA=

atoms_aniso_u22:
oEEAAMBwAQDg3QAAsDABAKClAABgIgAA8AoAAFAtAABwSQAA8DwAABBAAADwbgAAsDYAAJBMAADgKAEAkF8BAJD7AABAnAAAECEBADCnAAA=

atoms_aniso_u33:
gFcAAICiAADgpQEAwPMAACBIAQDwIwAAgCUAAJBMAADAdgAAkEwAALA2AABQRgAA8G4AAPBVAADQnQAAMPIAAGAcAQDgKAEA4CgBAIAGAQA=

atoms_aniso_u12:
4Pz///C///+QfgAAMPj///Dx///QBwAAEA4AAGAJAADAEgAAUPv//yADAACg9v//sAQAAMASAAAAAAAAYNf//4AMAADg4///MEMAAIAlAAA=

atoms_aniso_u13:
sB0AAKAPAABgbQAAoIwAAAAyAACQAQAA8AoAAAAZAADwCgAAIAMAAHAXAADgFQAAoA8AAMArAACQAQAAQGoAAKAPAABQRgAAAJYAABBZAAA=

atoms_aniso_u23:
EPX//0DU///QOQAAgAwAAFDi//8w+P//MBEAAGAJAABg8P//gPP//8Dg//8Q9f//0AcAAJAaAAAAGQAA8PH//7Dr//8QJwAAoCgAAOAuAAA=

qdat:
AAAAAAAAAAAAgACABAAICAABQYAAgQCAABLDBIkFCZAxBCAacQLAyGiNkZ0ibqgGHJk9nvGei3TvlSr225On1bXb8+9at8v1fz7e729/55ifr5/79/Pfon/Kn2/38/vvtvuf++31/6eu/8f3f32fPWx57fuzbn6b9zea7b==


formula: U Ni7 B4 O16
compound: <missing>
pub_title: Synthese et structure du tetraborouranate de nickel, Ni7 B4 U O16 _cod_database_code 1001392
formula_title: B4 Ni7 O16 U
a: 5.861
b: 20.200
c: 4.501
alpha: 90
beta: 90
gamma: 90
cell_volume: 532.883
crystal_density: 5.909
atoms_sites: ["U1", "Ni1", "Ni2", "Ni3", "B1", "B2", "O1", "O2", "O3", "O4", "O5", "O6"]
atoms_x: AAAAAAAAAAAAAAAAgC8PAAAAAAAAAAAAUBcMAAAAAAAAAAAAcMQRAAAAAAAAAAAA
atoms_y: AAAAAICEHgBAChAAEN4HACDaIwCQuQsAIIMMANDFCgCgJxUA4BwDAABMBACwwiMA
atoms_z: AAAAAAAAAABAfh4AQGUeAIC9IQDgHAMAEHUMAHCALQCgwhAAYOMvAIBuEQCwQA8A
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAIAAAAAAACACAADAAAIgJAUAQBDwQAwEMCxQYGOABxhRBjRwEHMGC4wzAYRJigX7StrlE+WyYSUopqB+dHKPqj5k4UT1Vx8mLcf85djOdk0N/a+WvbUvfr793+nK3us644mhcr+++e9d/r3+VCSzc69o6Vf91==


formula: Mo Rb P2 O7
compound: <missing>
pub_title: Structure of a diphosphate of trivalent molybdenum Rb Mo P2 O7 _cod_database_code 1001391
formula_title: Mo O7 P2 Rb
a: 7.5237
b: 10.3537
c: 8.3998
alpha: 90
beta: 105.8320
gamma: 90
cell_volume: 629.507
crystal_density: 3.749
atoms_sites: ["Mo1", "Rb1", "P1", "P2", "O1", "O2", "O3", "O4", "O5", "O6", "O7"]
atoms_x: UGAOANBlCwDwsxoAUP0HAFBLFACg8QQAgIYmACBpCACgyRMAkBoAADBpGwA=
atoms_y: oJ8kAKBlEwBgziYA8AU3AFB0IgDgtiwAQGAjAKAYJABw6CQAQH4eAKCFLwA=
atoms_z: wFcuAABDAwAAnwsAAH0yAODuEgAgig8AEGkOAKDSHgBgHAEA4I8NAOBXDgA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAEAECAAQAAAxBABAhCABiEIQECBUAkpFgwBwKABToIaZdpLuooVkrmrCu7EsgbbdevFPkz/gr1fbdmf/2On3/n/t9+/9av3/9+7+6N9/lu7/X7+uff6/f+/z77/+3q/37lfvpzf/297/7+799717/zfvd==


formula: Li Cu V O4
compound: <missing>
pub_title: New refinement of the room-temperature structure of LiCuVO4 _cod_database_code 1000251
formula_title: LiCuVO4
a: 5.662
b: 5.809
c: 8.758
alpha: 90
beta: 90
gamma: 90
cell_volume: 288.056
crystal_density: 4.276
atoms_sites: ["Li1", "Cu1", "V1", "O1", "O2"]
atoms_x: QEIPAAAAAAAAAAAAAAAAAABbDgA=
atoms_y: QEIPAAAAAABAQg8AQAABAEBCDwA=
atoms_z: wMYtAAAAAABAjxcAwMUQABD1//8=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: ["Cu1", "V1", "O1", "O2"]
atoms_aniso_u11: cEkAADBDAADwoAAAkGUAAA==
atoms_aniso_u22: MCoAAEA4AADQUgAAoEEAAA==
atoms_aniso_u33: 0LYAABByAACgvgAAQLUAAA==
atoms_aniso_u12: YAkAAAAAAACg9v//AAAAAA==
atoms_aniso_u13: AAAAAAAAAAAAAAAAcP7//w==
atoms_aniso_u23: AAAAAAAAAAAAAAAAAAAAAA==
qdat:
AAAAAAAAAAAAAAAAAAAAACgBAAAAAAAAAAAQggAAYAJIgAABAAACAAaIBgABEAkgBAiIAAICSAmMwiAAK0KAUCEAaQAjE4g2BxUSoCUrAGqAXVZkgVI1TJsjFQ6zz55JFBp7/wdoYxg1bIvGoR+bTfHE8KYvJU6fGy6dF7==


formula: (Mo W) K P3 O12
compound: <missing>
pub_title: K Mo W P3 O12, a tunnel structure of the K Mo2 P3 O12 - type _cod_database_code 1001393
formula_title: K Mo O12 P3 W
a: 8.8180
b: 9.1574
c: 12.3836
alpha: 90
beta: 90
gamma: 90
cell_volume: 999.975
crystal_density: 4.011
atoms_sites: ["Mo1", "W1", "K1", "P1", "P2", "O1", "O2", "O3", "O4", "O5", "O6", "O7"]
atoms_x: +AIPAPgCDwBAFvX/0Cz+/6CrGADwowwAcM4HAIBjEgDANxcA0EwaAFDKAwBghRUA
atoms_y: 0KEBANChAQBA4wkAQEIPAMBWFgCAHwEA4FH2/zCCAgCAcwwAELX5/wBgCQCgQRkA
atoms_z: eCcGAHgnBgBAQg8AAAAAAOD+BwBAQg8AgIoEAEA3/P9AWQcAQFkHAFCSBABAQg8A
atoms_occupancy: gIQeAICEHgAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0A
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAABAAAAFAEACABCIBISEQJIAhwDaqIEhqNQI6EchfWGaKQqlU+9tnvvXnm/e+3W7Rduf9d/vuX//+7X7f/fv//39/36/+f93///f/f9////////9+////9/df3//7X7+//mff/3+/fV+r9g2qeiX06Z1wRqXR==


formula: Na3.4 Ce1.22 Ca1.15 Sr.24 C5 O15
compound: <missing>
pub_title: Structure of Na3M3(CO3)5. Corrigendum
formula_title: <missing>
a: 10.444
b: 18.01799
c: 6.291
alpha: 90
beta: 90
gamma: 90
cell_volume: 1183.840
crystal_density: 3.458
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
atoms_sites:
["Na13", "Na2", "CeM1", "CaM23", "CeM23", "NaM23", "SrM23", "C1", "O1", "O23", "C2", "O4", "O56", "C34", "O89", "O1013", "O1214", "C5", "O7", "O1115"]

atoms_x:
ECQNAAAAAAAAAAAAIO4PACDuDwAg7g8AIO4PAAAAAAAAAAAAIFwGAAAAAAAAAAAAoGgGAKB2DABgGAoAoPQQAMBTCgAAAAAAAAAAAFCGBgA=

atoms_y:
gPcPACAdHQBQUPb/IF0jACBdIwAgXSMAIF0jAOD8//8gTwQAoND9/wC5KADgaSQAoO4qACCGGAAgvhcA8J8VAOAcHAAAAwwAQJkNAOA3CwA=

atoms_z:
kKALAPCQCwAAAAAAIBwAACAcAAAgHAAAIBwAACArCgDwMgoAUL8JACCTAQDwmgEA0GUBAODv/f/wUQkA4BP4/7Dp9/9w2P3/8DgJAKAN+P8=

atoms_occupancy:
AAk9AAAJPQAACT0AYBgjAMC2BgAANQwAAFMHAAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQA=

atoms_u_iso:
kDwBAOAoAQDoywAAuNMAALjTAAC40wAAuNMAAKjZAAAoxwEAsO4BAIDtAADwdwEAyIsBACCyAADgKAEAkDwBAJA8AQAgsgAACBUBAJA8AQA=

qdat:
AAAAAAAAAAACAAAAAAAA4AAQAAQAGACAAIBoAAHAWBAEA4MAQIGIQdAjAwyAfMDGUQHkSnm0PoYQmjuzQ2DmgaNHqz3gnWRYYqPxPlNsfrZWc19prUYHS5xoNKbZiMQgyoZTLWDSaTI0CkmMIaSFkgLUBpQnpawoGlwYIX==


formula: Zn S
compound: Synthetic
pub_title: U parameters for the wurtzite structure of ZnS and ZnO using powder neutron diffraction
formula_title: <missing>
a: 3.8227
b: 3.8227
c: 6.2607
alpha: 90
beta: 90
gamma: 120
cell_volume: 79.231
crystal_density: 4.085
atoms_sites: ["Zn", "S"]
atoms_x: VVgUAFVYFAA=
atoms_y: q7AoAKuwKAA=
atoms_z: AAAAAEDgFgA=
atoms_occupancy: 0
atoms_u_iso: ILIAAICOAAA=
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACAEABAAAAAAAAAAgAAAAAAABAAAAIAAAQQEAAAAAEAAAAAAAACAACAIAAAIQAAAAgACAAKAAABQAAAEAAAAsIAALAAIAACAECAADAAhAAgFQgAIgBEgCAlAACgBAAABQgAWAIoB==


formula: Cu Cl N C3 O3
compound: <missing>
formula_title: CuCl(C2H4NO2)(CH4O)
a: 5.192
b: 7.945
c: 16.51
alpha: 90
beta: 100.24
gamma: 90
cell_volume: 670.197
crystal_density: 1.953
atoms_sites: ["Cu", "Cl", "N", "C1", "C2", "C3", "O1", "O2", "O3"]
atoms_x: SNY7AHhYDAAQgg4A0KhFAGApNQDAjSoAQIIuAIA3LwBAsyoA
atoms_y: qPwZAMhhEgCQ6yQAUM4sAABJKgCQeQUAgFMiADBoMADQwA8A
atoms_z: KFIXAIhAHgCwWxcA0NoTADD2EACgLhgA4CYSABCIDQDAVhYA
atoms_occupancy: 0
atoms_u_iso: AFgCAMAAAwDAzgIAAO4CACBCAgCg9wMA4CICAKD9AgBADQMA
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Mono-amino-acid-copper complexes: syntheses and structures of
 chloro(glycinato)(methanol)copper(II)
 and chloro(glycinato)(1-methylimidazole)copper(II)

qdat:
AAAAAAAAAAAABACAAAEAEAAIIB4QA4AACIDCBgiApiAwuUB4DAwkSZIoUp3kw9NCMt71Sq18vZan0rN5T+8+9abnuxR8+Y+lj3nJw6+teX8Xf97qP+7dvvnP71vvPvz9f9+5u/Y/up9/7t2/8/797Tvsd9t+3O2d9Pzr0z==


formula: Cu Cl N3 O2 C6
compound: <missing>
formula_title: CuCl(C2H4NO2)(C4H6N2)
a: 24.97
b: 4.009
c: 9.116
alpha: 90
beta: 90
gamma: 90
cell_volume: 912.555
crystal_density: 1.784
atoms_sites: ["Cu", "Cl", "N1", "N2", "N3", "O1", "O2", "C1", "C2", "C3", "C4", "C5", "C6"]
atoms_x: AEoGAFBbCQAg5ggAEJoKACBVAwAQygIAMG79/0A6CADwDQwAkBcNALCQCgBQ+///8PH//w==
atoms_y: 6CD8/zDeFADwxPr/4Dfy/+AB+/8gXO3/8JPl/6Bp8f8QfwIAoFP9/6DF6v+Qp/X/gGXt/w==
atoms_z: gIQeAJCjFwDgZCkAMCU3ALBUFAAAuCQAwLcjAHA2MQBA5SoAAPoyAHDsAgAwsxcA8EQgAA==
atoms_occupancy: 0
atoms_u_iso: YN4CAEANAwAA7gIA4BwDAMBLAwBgWwMAQIoDAMDOAgCALAMA4BwDAABrAwCAJgQAwMgDAA==
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Mono-amino-acid-copper complexes: syntheses and structures of
 chloro(glycinato)(methanol)copper(II) and chloro(glycinato)
 (1-methylimidazole)copper(II)

qdat:
AAAAAAAAIAAAAAQABAAAIAAgEQUGFiAwAUhtIgqICgmkglqJ4oiIZmfkp+kVtg6Tds0lk6j0CfxPCTfebzbqf2/5Zu37tUIP7t9Yo0DifXu+u3ar9/V593Uv93vbI9dLmFrf/357vbO+zMW2a6CvWRFFFPJOT+n3f77dzR==


formula: Pt Tc2 O8 N4
compound: <missing>
pub_title: Tetraammineplatinum(II) bis[pertechnetate(VII)]
formula_title: Pt(NH3)4(TcO4)2
a: 5.178
b: 7.725
c: 7.935
alpha: 69.33
beta: 79.74
gamma: 77.41
cell_volume: 288.044
crystal_density: 3.315
atoms_sites: ["Pt", "Tc", "O1", "O2", "O3", "O4", "N1", "N2"]
atoms_x: AAAAAKCHHgBAdhcAoIYaAIChFQBw+DIAUPcIACCHAwA=
atoms_y: AAAAAKAtFABg4hIAwPUIAFDkIABApxMAwLgOACCL+v8=
atoms_z: AAAAAACCFACQ/SEA4HcRAJDSCwCAsxIAoDr9/+BkEAA=
atoms_occupancy: 0
atoms_u_iso: YAMBAMA+AQAQTQIAYC8CAPB7AgDgIgIAgLUBAJCqAQA=
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAASABAAABAAJAAAIYIBAAsAgAAAAQjMVysBBAEIAVBGJZgZoKDOkURSuijwjTF2DBC4HE+27/Z9VQZMinOn26eD6iUbv/if/X3n7f//dfunlHv3+L3//ttO37X35337//b17r1//v3r/kt2//embye7/8/==


formula: Na2 Cd2 P6 O32 H28
compound: <missing>
formula_title: Cd2Na2P6O18.14H2O
a: 7.709
b: 11.028
c: 9.231
alpha: 108.25
beta: 110.06
gamma: 79.77
cell_volume: 697.913
crystal_density: 2.372
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Crystal chemistry of cyclo-hexaphosphates. V. structure of cadmium
 sodium cyclo-hexaphosphate tetradecahydrate

atoms_sites:
["Na1", "Na", "Cd", "Cd1", "P1", "P2", "P3", "OE11", "OE12", "OL13", "OL12", "OE21", "OE22", "OL23", "OE31", "OE32", "OW1", "OW2", "OW3", "OW4", "OW5", "OW6", "OW7", "OW8", "H1W1", "H2W1", "H1W2", "H2W2", "H1W3", "H2W3", "H1W4", "H2W4", "H1W5", "H2W5", "H1W6", "H2W6", "HW7", "HW78", "HW8"]

atoms_x:

atoms_y:

atoms_z:

atoms_occupancy:

atoms_u_iso:

qdat:
AAAAAAAAAAgAEAEAAggAgBABAwIAAkwQKAgjSCAgRUAFYQlORBxQJBxCtI0lVRlzmbQHCK3+sPSrfvq/+xc6ltv//pNbnen89nSO//77Nr9fe//rV/XO633/va7/79//77/336fv7/n3/P/x+/z9X+fP7/+//S2bb/Xc/9==


formula: Cu Fe2 F8 O2 H4
compound: <missing>
pub_title: Room-temperature structure of diaquaoctafluorocopper(II)diiron(III)
formula_title: CuFe2F8(H2O)2
a: 7.541
b: 7.501
c: 13.027
alpha: 90
beta: 90.52
gamma: 90
cell_volume: 736.842
crystal_density: 3.275
atoms_sites: ["Cu", "Fe", "F1", "F2", "F3", "F4", "F5", "OW", "H1", "H2"]
atoms_x: QEIPAEBCDwCAaBIAgHoPAGATDwAAAAAAAAAAAGAdHgCAohkAoHQEAA==
atoms_y: QEIPAJC9AgBAFxIAAJcEALB7AQAwBgYAIDAeAEBCDwBAYAoAwCEKAA==
atoms_z: AAAAAOBqDwCAWxAAEIAGABBGGABAQg8AQEIPAGCaHgAgIxwAQPQbAA==
atoms_occupancy: 0
atoms_u_iso: oOEAALh+AADQJAEAiEQBAFBeAQB4SgEAoDYBAMBHAgDIiwEAyIsBAA==
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAgAACAIAAAEABAgAQQAAABBAIQAGAzAJgQgIgQACHMAwjBIdgsEBsBAZaBhIyEEx4MfHpR4gXKHBNjDiDyhXzvPgNBHWeN5DypGPd7L2PZmuAblX87skx6uzYpTY9/vv/++o/Gzv3VfMqQPnXrwXe3T==


formula: Cu3 V2 O9 H2
compound: <missing>
pub_title: Room-temperature structures of oxocopper(II) vanadate(V) hydrates, Cu3V2O8(H2O) and CuV2O6(H2O)2
formula_title: Cu3V2O8(H2O)
a: 7.444
b: 6.658
c: 7.759
alpha: 90
beta: 93.57
gamma: 90
cell_volume: 383.806
crystal_density: 3.795
atoms_sites: ["Cu1", "Cu2", "Cu3", "V1", "V2", "O1", "O2", "O3", "O4", "O5", "O6", "Wat"]
atoms_x: AAAAABDrCQDQwRMA0FwoAEDALAAg3wUA4IkOAJBAGwDQkTQAQO8gALCFKQCA8AwA
atoms_y: AAAAAEBCDwBAQg8AQEIPAEBCDwBAQg8A4L39/0BCDwDguBsAQEIPAEBCDwBAQg8A
atoms_z: AAAAAJD5KgBwSgQAkNsvAPBaFABQXvz/kOoHAPBuMgAAERIA4BINAPD95P8A7hsA
atoms_occupancy: 0
atoms_u_iso: cJQAAHiWAAAwrAAAyG4AAKh6AACYigAAqNkAAIDtAACA7QAAaFABAEBkAQDwdwEA
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAEQAAAAASQAAAEAgQAAMoAUiAIAAMEIVJQEBAYBaCR4gKgFBJA8otIiCUo2PWVPJG8aVFYm0Pi21O56GprufnpW+unz/u/41To61n//Vlvunvff7/33vu/P9+6e/3133v9//799/e//mv59qb97f9/5e/9==


formula: Cu V2 O8 H4
compound: <missing>
pub_title: Room-temperature structures of oxocopper(II) vanadate(V) hydrates, Cu3V2O8(H2O) and CuV2O6(H2O)2
formula_title: CuV2O6(H2O)2
a: 5.617
b: 5.595
c: 11.333
alpha: 90
beta: 91.04
gamma: 90
cell_volume: 356.105
crystal_density: 2.774
atoms_sites: ["Cu", "V", "O1", "O2", "O3", "O4", "Wat"]
atoms_x: AAAAAOBXDgAAAAAAYCsLAICEHgAAbg8AQPEPAA==
atoms_y: AAAAAPCUGwAAkiIAsCwKAKD3HAAggyUA8MADAA==
atoms_z: AAAAAEDjCQBAQg8AgMMHAEBCDwCAyAIAIC35/w==
atoms_occupancy: 0
atoms_u_iso: KGgBAJjfAADIiwEAyIsBAFCzAQAA2wEAcGUCAA==
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAAAGABAAAAAMAQAAAEEAAAsEAAHhAADEAABMADmAExAF1gC3ABGAsQCyACQjOV+BVAKRP4fgHoAUbNfq/kbA2P5vgLS03R8m5fLpfgI/r7eFwSfB8DDE9enX9+fgzcbvjw9/PBS/34PeePwlb964Yev==


formula: (Sb.1 Bi.9) (Cu Ni) S3
compound: <missing>
pub_title: Structure of the new mineral muckeite, BiCuNiS3
formula_title: <missing>
a: 7.514
b: 12.557
c: 4.8880
alpha: 90
beta: 90
gamma: 90
cell_volume: 461.199
crystal_density: 6.030
atoms_sites: ["Sb", "Bi", "CuM1", "NiM1", "CuM2", "NiM2", "S1", "S2", "S3"]
atoms_x: SAAXAEgAFwCQWBcAkFgXAMDTBwDA0wcAEN4HAMAZFwDgswcA
atoms_y: 4BwIAOAcCAC4uRoAuLkaAGBFDwBgRQ8AwNsYAFgnEgAwpwUA
atoms_z: wBU5AMAVOQCgiDsAoIg7ANDFHgDQxR4A4LwrAAAwEQDQtBEA
atoms_occupancy: gBoGAIDuNgCAhB4AgIQeAICEHgCAhB4AAAk9AAAJPQAACT0A
atoms_u_iso: QGQBAEBkAQAoxwEAKMcBAJA8AQCQPAEA8HcBAEBkAQDwdwEA
atoms_aniso_label: ["Sb", "Bi", "CuM1", "NiM1", "CuM2", "NiM2", "S1", "S2", "S3"]
atoms_aniso_u11: OIoBADiKAQAgxQEAIMUBANBWAQDQVgEA2JkBALhGAQCYkwEA
atoms_aniso_u22: CEwBAAhMAQCgmgEAoJoBAIghAQCIIQEAyCwBAOBzAQDIHQEA
atoms_aniso_u33: KFkBAChZAQBg/QEAYP0BAKBAAQCgQAEAeJoBAAh+AQAYoAEA
atoms_aniso_u12: qAwAAKgMAAAYGgAAGBoAABDr//8Q6///6OX//9jr//+g7P//
atoms_aniso_u13: WAIAAFgCAADw9v//8Pb//7gaAAC4GgAAAIP//8AIAABQkQAA
atoms_aniso_u23: MPj//zD4//+gDwAAoA8AAHADAABwAwAAsPr//4ARAABA6P//
qdat:
AAAAAAAAAAAAAAAACAAAAAAAAABRAQEAEIABQEBCAAhUAhgClBwVARMB5KQBM4xCDhqJWCtEppLoAzkI2FTOgO7duH9fmmrf71nbcy30SNV/a8PvZdJb7a429t5I57Xmtv63Vzdb/d/8/+5f13y9/2hn7Pdfzm7/fe99/X==


formula: K Cu2 S2 O10 H3
compound: <missing>
pub_title: Neutron diffraction study of the hydrogen-bond system in Cu2K(H3O2)(SO4)2
formula_title: Cu2K(H3O2)(SO4)2
a: 8.955
b: 6.265
c: 7.628
alpha: 90
beta: 117.45
gamma: 90
cell_volume: 379.772
crystal_density: 3.440
atoms_sites: ["K", "Cu", "S", "O1", "O2", "O3", "O-h", "H1", "H2"]
atoms_x: AAAAAEBCDwDI4gQAQFoLALBECwAYSf7/yIgJACAlAQBgYQwA
atoms_y: gIQeAEBCDwAAAAAAAAAAAAAAAADQ3QsAgIQeAICEHgCAhB4A
atoms_z: gIQeAAAAAABAkBEAMFELAIB/HgCo4A0AeJcEAJi8AABwZA0A
atoms_occupancy: AAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AICEHgAACT0A
atoms_u_iso: mN8AALB8AAD4ZgAASKgAAKjZAABApgAAiIYAAIBCAQDgfQEA
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAEAAAAAIAAAAIAACAgAEAARAAAAAMgAEEAAoAFCAABIQAIAJKpAABAiBopIGAIwKEhAIBAXZIYAiBw1GAACJuIJmVWAoGErAmPSOYARH2lRgjPFITeRAvPMqSBud0XWF2efsT7M0Jmsef6BgvftiTA5f==


formula: Tl V3 O8
compound: <missing>
pub_title: Structure of the trivanadate TlV3O8
formula_title: TlV3O8
a: 7.780
b: 8.423
c: 4.993
alpha: 90
beta: 96.48
gamma: 90
cell_volume: 325.106
crystal_density: 4.957
atoms_sites: ["Tl1", "V1", "V2", "O1", "O2", "O3", "O4", "O5"]
atoms_x: yGYDADAgIwBg7ikAkEYaAOBfLgAA3B4AACgKAJAGLQA=
atoms_y: QEIPAEBCDwDASwMAQEIPAEBCDwBwRAUAgA0EAEAUBgA=
atoms_z: aOA5AGD+NwDwsxoA8F0HADAaJACg9CkAQH0aAKD+BgA=
atoms_occupancy: 0
atoms_u_iso: EMsBAJiAAACIhgAAMAEBAFiYAABIqAAA+BoBAECmAAA=
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAEAAAAIAAQAAFAIQIRAACAAARAQCCAVBgDQHAmAEiAwSKAQiKHAqUbSPhgBC+UaRkcU4mcVBmqK/2FF+4IrOnLtOdjPlfN5XveLZWb/1Odzvvau2uk+9n9l+//1/7r/m3fN3e2f7t3Z+77XX9P3/sl/mv+==


formula: Te P6 O26.038 N6 H34
compound: <missing>
formula_title: H34 N6 O26 P6 Te
a: 9.899
b: 11.042
c: 7.632
alpha: 109.53
beta: 106.74
gamma: 100.91
cell_volume: 714.222
crystal_density: 1.972
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Crystal chemistry of cyclo-hexaphosphates. VI. Structure of ammonium
 cyclo-hexaphosphate tellurate dihydrate
 _cod_database_code 1007187

atoms_sites:
["Te1", "P1", "P2", "P3", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "O11", "O12", "N1", "N2", "N3", "O13", "O14", "H1", "H2", "H3", "H4", "H5", "H6", "H7", "H8", "H9", "H10", "H11", "H12", "H13", "H14", "H15", "H16", "H17"]

atoms_x:

atoms_y:

atoms_z:

atoms_occupancy:

qdat:
AAAAAAAAAACCAAACAAgAAQJIAAAQEQAVCAAgQUIEAgIMCjOUCACoGwUUEhY0kQIqYtMw0BEC61KonYiVI3y7tEFviv9PF3bse/Hqz/mzF9knr/erVOs8v92r92td17v/PV6/Tn5//f/f373r+f/5O/J/3/t17O2+n//bvn==


formula: Eu Mo6 S8
compound: <missing>
formula_title: EuMo6S8
a: 6.5378
b: 6.5378
c: 6.5378
alpha: 88.809
beta: 88.809
gamma: 88.809
cell_volume: 279.265
crystal_density: 5.852
atoms_sites: ["Eu", "Mo", "S1", "S2"]
atoms_x: AAAAAMDwDQBgmAcAkPIOAA==
atoms_y: AAAAAGhcIgAwShcAkPIOAA==
atoms_z: AAAAAJCNGQBQbi0AkPIOAA==
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: ["Eu", "Mo", "S1", "S2"]
atoms_aniso_u11: UEYAACAcAABgIgAAgD4AAA==
atoms_aniso_u22: UEYAAAAZAAAgNQAAgD4AAA==
atoms_aniso_u33: UEYAAOAVAACwNgAAgD4AAA==
atoms_aniso_u12: MN///4Dz//+w6///cP7//w==
atoms_aniso_u13: MN///1D7//8w+P//cP7//w==
atoms_aniso_u23: MN///6D2//8w+P//cP7//w==
pub_title:
 Structural phase transitions in Chevrel phases containing divalent
 metal cations. II. Structure refinement of triclinic EuMo6S8 and BaMo6S8
 at low temperature
 Sample: T = 112 K

qdat:
AAAAAAAAAAAAAAAAAAAAAAEAAAAAAAAAAAAEAAEAAAAABAAQgAAAEAAAAAAgAAAABBAIAAAQEAAAAQAAEMEACCCAACAAAEIAQQQAEEIABCCAAAAQRgARiAkCCCAAEAAkhEAUQACEEhAoAEUIIsCEBSQgAAIAwkgoCwBQiR==


formula: Eu Mo6 S8
compound: <missing>
formula_title: EuMo6S8
a: 6.4692
b: 6.5651
c: 6.5986
alpha: 89.179
beta: 89.184
gamma: 88.009
cell_volume: 280.024
crystal_density: 5.836
atoms_sites: ["Eu", "Mo1", "Mo2", "Mo3", "S1", "S2", "S3", "S4"]
atoms_x: AAAAABA8DgCwlRkAUHQiACChBwBwUw8AgEoXACCFLQA=
atoms_y: AAAAAABHIgAw2w0A0H8ZAOBTFwAApg4AsDstAOCBBwA=
atoms_z: AAAAAEC6GQCIWiIA2OINAECILQAQ/w4AULIHABAaFwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: ["Eu", "Mo1", "Mo2", "Mo3", "S1", "S2", "S3", "S4"]
atoms_aniso_u11: GH4AAJhsAADAbAAAeHMAALCBAACwmgAAgIkAAICJAAA=
atoms_aniso_u22: EFkAAIA+AABwSQAAIE4AABBZAAAAMgAAkDMAAGA7AAA=
atoms_aniso_u33: yF8AANBXAADwVQAA2FQAAKBzAAAQcgAAEHIAAHB7AAA=
atoms_aniso_u12: 2Nf///Dd//9w4P//oN3//8Dg//8wxv//sOv//xDc//8=
atoms_aniso_u13: iNz//9Df//8I5P//KN3//wDn//9A1P//kM///xDc//8=
atoms_aniso_u23: gOn//yD0//9w9P//+Pj//1D7//+Q6P//8PH//5ABAAA=
pub_title:
 Structural phase transitions in Chevrel phases containing divalent
 metal cations. II. Structure refinement of triclinic EuMo6S8 and BaMo6S8
 at low temperature
 Sample: T = 40 K

qdat:
AAAAAAAAAAAAAAABwAAAAAMAAAAQAAACoAAPAAOAAAAACgA7CAzARAIAByDoAAAFHKVlFAHSzGAABEB9X04IP8qUAIc6+68RP7Qg/59IEbpySAz7va/96NcgPsPX6oG//fvdIq2/717Og51v6P34b/vv3rNv/X/76n/9/7==


formula: Ba Mo6 S8
compound: <missing>
formula_title: BaMo6S8
a: 6.6441
b: 6.6441
c: 6.6441
alpha: 88.562
beta: 88.562
gamma: 88.562
cell_volume: 293.025
crystal_density: 5.494
atoms_sites: ["Ba", "Mo", "S1", "S2"]
atoms_x: AAAAAJhUDgCQhgcAAFUPAA==
atoms_y: AAAAAAiKIgCw2BcAAFUPAA==
atoms_z: AAAAAAh6GQDQ8ywAAFUPAA==
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: ["Ba", "Mo", "S1", "S2"]
atoms_aniso_u11: sJoAAMB2AAAwdQAAoKUAAA==
atoms_aniso_u22: sJoAACBnAAAgsgAAoKUAAA==
atoms_aniso_u33: sJoAAABkAABwrQAAoKUAAA==
atoms_aniso_u12: aNn//5Do//8w3///gNr//w==
atoms_aniso_u13: aNn//9Du//+A8///gNr//w==
atoms_aniso_u23: aNn//2Dw//8Q9f//gNr//w==
pub_title:
 Structural phase transitions in Chevrel phases containing divalent
 metal cations. II. Structure refinement of triclinic EuMo6S8 and BaMo6S8
 at low temperature
 Sample: T = 177 K

qdat:
AAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAgABAAAAAAgAIIAAAEAAAAABAAAAAECAgAABAQAAACAAAggQAgQQAAQAABEACQEAECEAAkBAAAAgSQAkiBQEICAAQAChBoCJAARAUQKABCiAzAggwYEAAIAwVAQAgBokRBED==


formula: Ba Mo6 S8
compound: <missing>
formula_title: BaMo6S8
a: 6.5896
b: 6.6500
c: 6.6899
alpha: 88.731
beta: 88.818
gamma: 88.059
cell_volume: 292.859
crystal_density: 5.497
atoms_sites: ["Ba", "Mo1", "Mo2", "Mo3", "S1", "S2", "S3", "S4"]
atoms_x: AAAAAPB+DgDIfRkA8JciAICRBwDAmQ8AMOUXAAAFLQA=
atoms_y: AAAAADhzIgBoOQ4AyG4ZAEDzFwDQEQ8AcOosAIB4BwA=
atoms_z: AAAAAGCVGQCAgCIAADMOABD6LADAZw8AcJwHAGCrFwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Structural phase transitions in Chevrel phases containing divalent
 metal cations. II. Structure refinement of triclinic EuMo6S8 and BaMo6S8
 at low temperature
 Sample: T = 173 K

qdat:
AAAAAAAAAAAAAAADAAAAAAwAAACAAAANAABwADgAAAAAwAYqAeAJAIAA8DwAAACuOxsMAHpsYAAFADr/miB51mABr7DeuAk/cgFvfoDPO9kAzze7//2u4oe85P7APv/7f+rF3/352wH/dl+//n/7/b/nD/3v7n+9//7+//==


formula: Co Si F6 O6 D12
compound: <missing>
pub_title: Structure investigation by neutron diffraction of deuterated cobalt fluosilicate hexahydrate
formula_title: CoSiF6.6D2O
a: 9.369
b: 9.369
c: 9.731
alpha: 90
beta: 90
gamma: 120
cell_volume: 739.732
crystal_density: 2.163
atoms_sites: ["Co", "Si", "F1", "F2", "O", "D1", "D2"]
atoms_x: AAAAAAAAAACQegkAgDQKALCpCgAQ5QoA0IcMAA==
atoms_y: AAAAAAAAAAAgBQgAoPcDANBbCwBgGAoA0DESAA==
atoms_z: AAAAAICEHgAQeBgAUGUYACChBwAgZA0AEOQGAA==
atoms_occupancy: AAk9AAAJPQDAPhoAQMoiAAAJPQAACT0AAAk9AA==
atoms_u_iso: cBEBAJD7AADg6gIA8BcCALARAgBgdAMAAO4CAA==
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAABAAAAAIAAQAAgAAAICABAACIIAAACgABAAUICAA4gIASQAAKEEA4oQBSCAMoENESCICBgIBsENAoDSg0BFAYpKPpYUSHJDLBZssQfLMKGUGEnljFFVJFHSZYt5oHUqIUYpCpBU9qDHkilOshwURFME==


formula: K Al F6 O2 H6
compound: <missing>
pub_title: Kalium-dioxonium-hexafluoroaluminat
formula_title: (H2O)2KAlF6
a: 8.6464
b: 8.6464
c: 8.6464
alpha: 90
beta: 90
gamma: 90
cell_volume: 646.407
crystal_density: 2.241
atoms_sites: ["K", "Al", "F", "O", "H"]
atoms_x: AAAAAICEHgBw2RoAsAcMAIDSEQA=
atoms_y: AAAAAAAAAACg4AsAsAcMACCDDAA=
atoms_z: AAAAAAAAAACA+gIAsAcMAGA3CQA=
atoms_occupancy: 0
atoms_u_iso: ABJ6AAASegAAEnoAABJ6AKD3AwA=
atoms_aniso_label: ["K", "Al", "F", "O"]
atoms_aniso_u11: oDsBADDAAABQWQEAoIYBAA==
atoms_aniso_u22: oDsBADDAAADg3QAAoIYBAA==
atoms_aniso_u33: oDsBADDAAACAnAEAoIYBAA==
atoms_aniso_u12: 8CMAAPC////wCgAAUJEAAA==
atoms_aniso_u13: 8CMAAPC///8gZwAAUJEAAA==
atoms_aniso_u23: 8CMAAPC///8Q3P//UJEAAA==
qdat:
AAAAAAAAAAAAAAAAAAAAAgAAQAAgACAAAAQAIAAAQAgCAIAAEAgIBAQEBAAIEBAgAQIAECCCCCCACEEEIQQAhCEIQgCEAgCIBCIRCIBERCQgIiIiICJEBECIkSIESJEgBJEkCSIIgkCSQJJKIJJBIJJAQCSiggpRAilICC==


formula: W2 Na2 O7
compound: <missing>
pub_title: Na2W2O7(II), a high-pressure phase of disodium ditungstate(VI)
formula_title: Na2W2O7
a: 3.7777
b: 26.6067
c: 5.4290
alpha: 90
beta: 90
gamma: 90
cell_volume: 545.680
crystal_density: 6.399
atoms_sites: ["W1", "W2", "Na1", "Na2", "O1", "O2", "O3", "O4", "O5", "O6", "O7"]
atoms_x: AAAAAAAAAACAhB4AgIQeAAAAAAAAAAAAAAAAAICEHgAAAAAAgIQeAAAAAAA=
atoms_y: cCQbAEDEFABAniEAoIoRAAAGGABA+x4AQO0YAFB3FQDgwhEAUJ4bALCrEgA=
atoms_z: kDwGAJAQIwDwYwYAMDEDAPA3NwCQGRUAYA8YAAAWJgDw5C8AMA0JAGCwEgA=
atoms_occupancy: 0
atoms_u_iso: SD8AAChVAAAwAQEAsO4BAOg9AgDwdwEAgO0AAPB3AQAIFQEAaFABACjHAQA=
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAABAAAAAAACAAAABAACBAAAgAUEAAgBBAEYACADAwACAhAEAABUgCIQpAEJIRCUgJiEAIEAAURAGCRMoEWCAKICECAqKDIIkspQwgEIAABUpOgzjK1yiEYBQIgJNoMQQAQogRKwnIMxIQXRRIKUiAMgRUixKgkIyS==


formula: S F O3 H
compound: <missing>
formula_title: FSO2(OH)
a: 4.868
b: 6.736
c: 9.359
alpha: 90
beta: 90
gamma: 90
cell_volume: 306.890
crystal_density: 2.166
atoms_sites: ["S", "F", "O1", "O2", "O3", "H"]
atoms_x: IAj2/8DcCACQhu7/AE7z/yAl8v8gwO3/
atoms_y: 6DggANCYHgBgYBcAQF4bAHBtLAAgshkA
atoms_z: aJc3AFCxNQDAGDEA4AMDAOCyNQAAaS0A
atoms_occupancy: 0
atoms_u_iso: cMYAAPCBAQAALAEAkF8BACBIAQDgmQMA
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Structures of two strong Bronsted acids: (I) fluorosulfuric
 acid and (II) trifluoromethanesulfonic acid
 Sample: T = 123 K

qdat:
AAAAAAAAAAAAAAAAAAAAAAIAAAAABAAwAgCAAAIEAABghDAQECFAkQMAiCCAAJxUkAicYMmBcBoimyFVoUCCUCptRkbO4a7jI9cc9XKdQ6VWlzfvl3z319e7vLyXbffr/7m1zd3x7/rw/8n78nf93TTz77+/j/67//1bv/==


formula: S F3 O3 C H
compound: <missing>
formula_title: CF3SO2(OH)
a: 4.947
b: 11.260
c: 8.457
alpha: 90
beta: 99.21
gamma: 90
cell_volume: 465.009
crystal_density: 2.144
atoms_sites: ["S", "F1", "F2", "F3", "O1", "O2", "O3", "C", "H"]
atoms_x: MMIDACAf8/8At+7/QJcFAJBbCgDA8REAkOz2/2At+v+g/QIA
atoms_y: CM0qAFBOIAAAsSEAgNscAFCiKwDg+ikAoNAvAODGIQAAYy4A
atoms_z: aBkQAKBTFgBgxgYAoNQNAGBiBgBgkhcAgAoRAFChDgAgSAEA
atoms_occupancy: 0
atoms_u_iso: wD4BAACKAgCg5AIAEOMCADC6AQAQGwIAEAICAHCnAQAA3AUA
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Structures of two strong Bronsted acids: (I) fluorosulfuric
 acid and (II) trifluoromethanesulfonic acid
 Sample: T = 173 K

qdat:
AAAAAAAAAAAAAAACAACAAEEIAgBAYAEQIAAUCUFIQAhhBSDUQBQ0BloBRWMLkRUY5lYsWB8jHsZ9Itlp4G0urR4vcXcv5349eaNefDpH/Ls+z/7GV+t/rtvf7cvb/vlrvmv+vvx91ZX71vuX1v3b2PZ63/3yd8/9dD3ejT==


formula: Ni Cl2 O12 H12
compound: <missing>
pub_title: The structure of hexaaquanickel(II) chlorate
formula_title: Ni(H2O)6(ClO3)2
a: 10.3159
b: 10.3159
c: 10.3159
alpha: 90
beta: 90
gamma: 90
cell_volume: 1097.795
crystal_density: 2.019
atoms_sites: ["Ni", "Cl", "O1", "O2", "H1", "H2"]
atoms_x: AAAAAFB9DwBAUQoAoMIBALA9AwAQ6P3/
atoms_y: AAAAAFB9DwDY5SgAaE7+//AXAgDwA/3/
atoms_z: AAAAAFB9DwDAFwoAqOcLACBFDgAQ7A0A
atoms_occupancy: 0
atoms_u_iso: IGYBAIChAQD4NwIAuPABAIjdAwAw3AIA
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAAEAAIACABAAACAEAACAQCAgACBAgQIECACCBCACCAEIQhBEAQhEIRAIhERCAiAgIgREiIgSJEiBIkiQRJBEEkkkEkkkBJJISUEhISkJKUhKhISoCBSpEKVApSghEiIFDAiCIQUAASJAAgARAQAAAIg==


formula: Y Ba2 Cu2.941 O6.822
compound: <missing>
pub_title: Untwinned single crystals of the high-temperature superconductor YBa2Cu3O7-x
formula_title: YBa2Cu2.94O6.82
a: 3.836
b: 3.883
c: 11.686
alpha: 90
beta: 90
gamma: 90
cell_volume: 174.065
crystal_density: 6.292
atoms_sites: ["Y1", "Ba1", "Cu1", "Cu2", "O1", "O2", "O3", "O4", "O5"]
atoms_x: gIQeAICEHgAAAAAAAAAAAAAAAACAhB4AAAAAAAAAAACAhB4A
atoms_y: gIQeAICEHgAAAAAAAAAAAAAAAAAAAAAAgIQeAICEHgAAAAAA
atoms_z: gIQeAFBACwAAAAAAoLgVAMCkCQCgGxcAoBsXAAAAAAAAAAAA
atoms_occupancy: AAk9AAAJPQAgbzkAAAk9AKA2OAAACT0AAAk9AMCoMgDAJwkA
atoms_u_iso: 0FIAACCAAAAQcgAAwF0AAKClAAAQcgAAYG0AAOAoAQBAGQEA
atoms_aniso_label: ["Y1", "Ba1", "Cu1", "Cu2", "O1", "O2", "O3", "O4"]
atoms_aniso_u11: wF0AAECcAACQlwAAQFEAAMDaAADAXQAAYG0AAAD0AQA=
atoms_aniso_u22: kEwAANBrAABQeAAAMEMAAOCrAADAXQAAgD4AAOCrAAA=
atoms_aniso_u33: sE8AAMB2AABQRgAAsIEAAGBtAABAnAAAQJwAACDLAAA=
atoms_aniso_u12: AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA=
atoms_aniso_u13: AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA=
atoms_aniso_u23: AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA=
qdat:
AAAAAAAAAgAAAAAAAAgAAAAAAABoGAAAKAABAAYEAAIABgBAAAAAMBiIBEAgdUCkCI0AMAaCAEAKXIBAC5LRC5SUVOYAEOgAE+kSByIQmgiFpcCfXDN2tkwAnXQVLBSiBlCQNYDb3/t0WazSCfSjCTMwSPUhUTmnhhbJ7V==


formula: Cs S O4 H
compound: <missing>
pub_title: Redetermination of the structure of caesium hydrogensulfate
formula_title: CsHSO4
a: 8.214
b: 5.809
c: 10.984
alpha: 90
beta: 119.39
gamma: 90
cell_volume: 456.651
crystal_density: 3.345
atoms_sites: ["Cs", "S", "O1", "O2", "O3", "O4", "H"]
atoms_x: QJURADACDwAAXBIAEPsXAGARBwCA9QcAwGn+/w==
atoms_y: 2FktAPBlDgAAIw8AQKwOAMC1AgDwERwAwCYeAA==
atoms_z: KEwJAGBBGADQzREAAOkgADCgFgDAUBcAgNgQAA==
atoms_occupancy: 0
atoms_u_iso: oG0BAIAfAQAA9AEAQBMCAKADAgBAEwIAIE4AAA==
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAACAAAAAARAQAAAAMIACAAIAkGBAQAYBICENhABAEIAcnTMACVCWDGggXCgBT1xPQhDSMUod+TjXCbFqXqD/VsgJcz7790H+zXbu66pV/6fe+0m+S/v69//+0u1Ne//91b9Wb1+f+57OutZ/1X/fj/3//f==


formula: Ba O5 H8
compound: <missing>
pub_title: Hydrogen bonding in barium hydroxide trihydrate by neutron diffraction
formula_title: Ba(OH)2.3H2O
a: 7.640
b: 11.403
c: 5.965
alpha: 90
beta: 90
gamma: 90
cell_volume: 519.664
crystal_density: 2.881
atoms_sites: ["Ba", "O1", "O2", "O3", "H1", "H21", "H22", "H3"]
atoms_x: wEYhAFB+GADQ8ywAMHEiAFDQGwAwFzEAUEopAFB/HAA=
atoms_y: QEIPAEBCDwAQXxgAcHsZAMBoEwDw2RwAQB8ZAACdHAA=
atoms_z: 4Dw4ANBTHQAQiCYAEM0OAACDGACrsCgAUHkdAIBIDwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: ["Ba", "O1", "O2", "O3", "H1", "H21", "H22", "H3"]
atoms_aniso_u11: kOIAAKAiAQDwTwEAEIUBAMBRAgCgAwIAoAMCAOAiAgA=
atoms_aniso_u22: UA4BAPBPAQAQUwEAMD0BAOClAQBAlgEAAPQBAIAyAgA=
atoms_aniso_u33: UKoAACBIAQBwXAEAQDIBACDFAQBAEwIAgLUBAMDIAwA=
atoms_aniso_u12: AAAAAAAAAABA1P//EPX//8Dg//8g0f//YPD//6CMAAA=
atoms_aniso_u13: MPj//5BMAADQ1f//UPv//yBOAACgDwAAINH//8BdAAA=
atoms_aniso_u23: AAAAAAAAAADgRwAAAOf//6APAABg8P//4C4AAMBdAAA=
qdat:
AAAAAAAAAAAAAAAAAAIBAAIAQAAIBAAAGhAYCIBCAAigGHCAYQBgOElSIXIMasQBwfjGoJT86XGp32YSJtWp8qvUNvb/m/2F6v/9vP3Hd7fz/f4/98ffrvb7fP26+j3//1/9t3/5+/+vd///f379/+b/+7/3d9/b/2V9+7==


formula: Li2 Si2 O5
compound: <missing>
pub_title: The structure of metastable lithium disilicate, Li2Si2O5
formula_title: Li2Si2O5
a: 5.683
b: 4.784
c: 14.648
alpha: 90
beta: 90
gamma: 90
cell_volume: 398.242
crystal_density: 2.503
atoms_sites: ["Li", "Si", "O1", "O2", "O3"]
atoms_x: MOIkAADDBQAAAAAAkGr7/6AnFQA=
atoms_y: IKoSAGCwEgBg4Q4AcPsMAKDACAA=
atoms_z: wGobADB0FQBAQg8AoFQaAIAFFgA=
atoms_occupancy: 0
atoms_u_iso: sDoBAMjNAABwSAEAOAMBADgDAQA=
atoms_aniso_label: ["Si", "O1", "O2", "O3"]
atoms_aniso_u11: UGMBAFCyAgA4ngEAKMwBAA==
atoms_aniso_u22: CFcAABCGAAAYtQAA2DsAAA==
atoms_aniso_u33: 2KkAANipAADgugAAsP4AAA==
atoms_aniso_u12: aPf//wAAAACY+f//KC0AAA==
atoms_aniso_u13: 8LD//3hH//+YdgAAUFv//w==
atoms_aniso_u23: 0On//wAAAADAWAAAeDcAAA==
qdat:
AAAAAAAAAAAAAAIAAAAAAAAIAAAACEAAgAgBBAAEEABFIRiBhCAEYAAFESAlSYQQgBkE0qlEgLoiy7YlugkJFL3nuhfCx6m18sB6J2Px0iwamEX3Q626Ol7xlj7eVhNKppZu3v5/m75cV5nzbtbdheXuwdtzf12rUv5vsZ==


formula: Tm2 Zn S4
compound: <missing>
pub_title: Structure du sulfure de thulium et de zinc ZnTm2S4
formula_title: ZnTm2S4
a: 13.308
b: 7.769
c: 6.285
alpha: 90
beta: 90
gamma: 90
cell_volume: 649.805
crystal_density: 5.433
atoms_sites: ["Tm1", "Tm2", "Zn1", "S1", "S2", "S3"]
atoms_x: AAAAAOhDEADgpgUAQH4FABA6GgBgQBQA
atoms_y: AAAAAEBCDwBAQg8AQEIPAEBCDwBwPzwA
atoms_z: AAAAAIBXAACwwiMAIH0NAOAULgCwvQ8A
atoms_occupancy: 0
atoms_u_iso: gI4AALB8AAD4xQAAsHwAAFiYAAAoqgAA
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAACAAEACEBAAACgBAAVCIQKBAQUBEBqHDERAymVI5aIRtT4EUUvL9WSG5vTtPr6zaP1pHt6vPnffunfey8/7ryd/7nd1u9X5vebvf3pq/d29W/3rf3733y1e9de37/vbt/zrea5n7/d//3/z/u39i7+15==


formula: Na4 O I2
compound: <missing>
pub_title: Structure of Na4OI2
formula_title: Na4OI2
a: 4.655
b: 4.655
c: 15.940
alpha: 90
beta: 90
gamma: 90
cell_volume: 345.404
crystal_density: 3.478
atoms_sites: ["Na1", "Na2", "O1", "I1"]
atoms_x: AAAAAAAAAAAAAAAAAAAAAA==
atoms_y: gIQeAAAAAAAAAAAAAAAAAA==
atoms_z: AAAAANC4CAAAAAAAMCkVAA==
atoms_occupancy: 0
atoms_u_iso: oIYBAACpAQAwJAEAMD0BAA==
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAQAAAAAAAAAEAAIAABABAAIAAAAFAIAAAgBAAACQUAgAAAABQEASAiABRQIQIgBhACACAKEEAAAEECgkAyBEJAYgKEAMwAAAgggICESFASAAQMCAAEQogEgRQSBiAmIADIJQbECDAQQyQAECBFCSBQRAog==


formula: Ba2 Cu B2 O6
compound: <missing>
pub_title: Structure of Ba2Cu(BO3)2
formula_title: Ba2Cu(BO3)2
a: 8.023
b: 11.290
c: 13.889
alpha: 90
beta: 90
gamma: 90
cell_volume: 1258.061
crystal_density: 4.813
atoms_sites: ["Ba1", "Ba2", "Ba3", "Cu1", "Cu2", "B1", "B2", "B3", "O1", "O2", "O3", "O4", "O5", "O6", "O7"]
atoms_x: AAAAALgmFwAIxgkAMMcSAFBdAgCg3gMAAOIdABApCACgpgQAQCAEACDFGgCQRBIAMK4DANBmHgDAygsA
atoms_y: AAAAAEBCDwBoNwEAQEIPAEBCDwBAQg8AQEIPABAhGgBAQg8AQEIPANDqCABA7hwAAPwIAID1BwDQ3QYA
atoms_z: AAAAALgXOgDIxSsA2PUiAJhQEgCg3wcAYDMrAFCkGgDQSisAAA0CAPBfKACAijYAgGALAHBwBgCw8x8A
atoms_occupancy: 0
atoms_u_iso: KKoAAHCUAACQiAAAMKwAAEieAAAgsgAAwHYAAJiKAAD4xQAAgO0AACCyAACo2QAAMAEBAPjFAAD4xQAA
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAgAAgACEAgAgBEAQSDAQGhAUJASRRggwgoZxhjMOCR2OejHFzs3uYv/qjOn5P3Mdv/7P/93w/33/3vetv/f37/t/+6/7/3//9//779/ff27//9u7//p3+d9///v9v3ze//X7e6n3cfrdnidb6bLiUbPDCuA==


formula: U B Li O5
compound: <missing>
pub_title: Synthese et structure du borouranate de lithium LiBUO5
formula_title: LiBUO5
a: 5.767
b: 10.574
c: 6.835
alpha: 90
beta: 105.04
gamma: 90
cell_volume: 402.523
crystal_density: 5.541
atoms_sites: ["U", "B", "Li", "O1", "O2", "O3", "O4", "O5"]
atoms_x: EAMGAPA5DQBwEyIAcEUJABACNABQYQgAMJgoACBmFQA=
atoms_y: 4P0DAJDLCAAAKQ4AcCsFAGCVCgBwdgUAoBYDADDQDgA=
atoms_z: YIoQAICuMAAgGSYAwC06AAD9DAAgUSUAEF0pAGAnFAA=
atoms_occupancy: 0
atoms_u_iso: mIoAAMB2AACA7QAAILIAADABAQAgsgAAqNkAACCyAAA=
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAAADBAIAAAIAIAIACASgQAKBCFAmFAMABKAGEgkCQ7IDpAFa1QEEJSwqVQE7xSFFSFvIYyo7jLc1yMunXW407Lv5ers1Y11P0zd8rL3MqpyXx7J/vtnY282Nv/95t/t1feP1pX79Ws//qXW7/dnZ/fb==


formula: Ti2.94 Nb.8 Al2.26
compound: <missing>
pub_title: Structure of omega-Ti3Al2.25Nb.75
formula_title: Ti3Al2.25Nb.75
a: 4.5554
b: 4.5554
c: 5.5415
alpha: 90
beta: 90
gamma: 120
cell_volume: 99.589
crystal_density: 4.603
atoms_sites: ["Ti1", "Nb1", "Nb", "Al", "Al", "Ti", "Ti2"]
atoms_x: AAAAAAAAAAAAAAAAAAAAAFVYFABVWBQAVVgUAA==
atoms_y: AAAAAAAAAAAAAAAAAAAAAKuwKACrsCgAq7AoAA==
atoms_z: AAAAAAAAAACAhB4AgIQeAKizDQCosw0AeMorAA==
atoms_occupancy: ALY1AABTBwAAgSkAAIgTAEA0OwDA1AEAAAk9AA==
atoms_u_iso: WGEAAFhhAADQSAAA0EgAAFiEAABYhAAAuHQAAA==
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAAABAAAAAAAEAAAAACAAAABAAAAAAAAwAACAAAQAAKAAEAACAAQAAAAQACgACACADQBAAAAAAUAQAoBECAGQIAAAwAgQBoBAICIACEKAgICoUAQAIBAIBKIVAAB0QUCUwIEgBE6AUCEkIAIoUIklKAB==


formula: Tm2 S3
compound: <missing>
pub_title: Tm2S3-V, a corundum-type modification of thulium sesquisulfide
formula_title: Tm2S3
a: 6.768
b: 6.768
c: 18.236
alpha: 90
beta: 90
gamma: 120
cell_volume: 723.404
crystal_density: 5.978
atoms_sites: ["Tm", "S"]
atoms_x: AAAAACB4EgA=
atoms_y: AAAAAAAAAAA=
atoms_z: 2F0VAEBCDwA=
atoms_occupancy: 0
atoms_u_iso: YHcAAFiYAAA=
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAAAAAAQAAAAAAAQAgAAEIAEAAAAEAAAICCIAAECAIAAQAYBgCKEgCIAFAIAIhAAiQCRAiAgICBAkCJAKQDIBiUAiEAQQYBMCiHABBBKgICABhAzAQMoFIgQRgiCASgpFIJQrAgQRCCYmLQVNYJIIRGI==


formula: Mo3 O10 N2
compound: <missing>
pub_title: Diammonium trimolybdate(VI), (NH4)2Mo3O10
formula_title: (NH4)2Mo3O10
a: 13.182
b: 7.589
c: 9.286
alpha: 90
beta: 90
gamma: 90
cell_volume: 928.955
crystal_density: 3.402
atoms_sites: ["Mo1", "Mo2", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "N1", "N2"]
atoms_x: SAMZALjDBgBA4gUAEJsOABClBABwlQQA8GsNAGDxAwBQRwQAgKIZAMADDwA=
atoms_y: sDYAAMDGLQDAxi0AwMYtAMDGLQBgMB8AwCYeAEBCDwBwGSEAwMYtAEBCDwA=
atoms_z: 6M8VAOAqCQBwZxQAYEMHAHCPNwCw+QUAcDc1ACAKNQDQVikAIOY6AOCHBgA=
atoms_occupancy: 0
atoms_u_iso: gIkAABCLAADwBAEAkBQBAEDOAACw5QAAQBkBAJDJAAAwJAEAwO0BALDfAQA=
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAABABABAEAgEBAAICABBBBDDCEIQhAIRGITEDEzBgTMkxTkumwTReWy22Rs7a5vLx7+lfemH7//9+a9fvfZf3Xvce8/+md/v3o3+/3n/f/x+v/2/973X7//d/v+9ZvZ+t/v9/s83fmZdJu7+v15mXP1RdBe==


formula: Ge2 I9 N C8
compound: <missing>
formula_title: N(C2H5)4I.2GeI4
a: 17.953
b: 9.990
c: 17.509
alpha: 90
beta: 108.87
gamma: 90
cell_volume: 2971.474
crystal_density: 3.124
atoms_sites: ["Ge", "I1", "I2", "I3", "I4", "I5", "N", "C1", "C2", "C3", "C4", "C5", "C6"]
atoms_x: 0PAHAAAAAACgjQQAYDwEADD3BQAY6xAAQEIPAAAREgDg7AoAoAIXAIDwDABghBEAgH8KAA==
atoms_y: 0OUNAIAXLABQqhkAENYAAKDhDwCgPg0AQEIPACBlEQBgbBUAgHkLAABZBgDg2g0A4IcGAA==
atoms_z: UJkHAEBCDwCwDQsAYFAJAGhx/v+wigsAgIQeAKDqGgDggBwAoN4cAOCAHAAApSMAIEEXAA==
atoms_occupancy: AAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AICEHgCAhB4AAAk9AICEHgCAhB4AAAk9AA==
atoms_u_iso: IPECABDKAgCAowQAoNgEAFBgBABwEgUAYFsDAADiBAAA4gQAwCcJAEB+BQCAGgYAgIsIAA==
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Tetraethylammoniumiodid-germaniumtetraiodid(1/2), eine strukture mit einem
 von acht iodatomen koordinierten iodidion

qdat:
AAAAAAAAAAAAaACAAAAgIpABeIQCIRAU9wEyEt4AGKtvqDtjO5kX1NT/3irLb391f3/t33/P/3/jv7vk323r5/tf8/Wfrdf/7/fW7vamd+1z8Nq+2d/RrZbMmfpA7kRhVEUKCSAggAAUAAEAAAgAAAAAAAAAAAAAAAAAAA==


formula: Y (O10 N3) H2
compound: <missing>
pub_title: Structure of yttrium nitrate monohydrate
formula_title: Y(NO3)3.H2O
a: 7.388
b: 7.889
c: 8.204
alpha: 64.43
beta: 70.90
gamma: 62.74
cell_volume: 378.390
crystal_density: 2.571
atoms_sites: ["Y", "Wat", "N1", "O11", "O12", "O13", "N2", "O21", "O22", "O23", "N3", "O31", "O32", "O33"]
atoms_x: AFMgAHDXEgAg/jYAcOosAHDmNQCwiAMAMDMkAAD8IQDAeSUAINQkAJBCCgAgixMAYMELAGCZAQA=
atoms_y: sIUQAECPFwBQdhEAEF4UAGBkDgDA2BEAwMQMAMBQFwAgHQQAkKALABBJCwDw8gMAoPUUALCDCAA=
atoms_z: QAAaAJCtDQBQ5QsAgEAIAJATFgAgYgUAAKgvAAB0JwBQnCwAIKc4AEBCKACAGyMAoFcmANA4LgA=
atoms_occupancy: 0
atoms_u_iso: KKoAAOAoAQAIFQEAkDwBAJA8AQAA2wEACBUBAAgVAQCQPAEAyIsBAJA8AQAwAQEAaFABAGAWAgA=
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAIBQMgBAAAAAAKCCBVCYSDBAACEsIw01hFkMWAE8JW1B6XN1zANWJOIrJXfLTbn981R/1Xb6zz/du9+Pz/eXv///9/5//+++//+bb//+/7//////vb/////////n/+//f//v/////993v/r/8ufI/vwzl==


formula: Sb4.95 Pb5.05 S13
compound: Synthetic
pub_title: Refinement of the structure of robinsonite, Pb4Sb6S13
formula_title: <missing>
a: 23.698
b: 3.980
c: 24.466
alpha: 90
beta: 93.9
gamma: 90
cell_volume: 2302.241
crystal_density: 5.960
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
atoms_sites:
["SbM1", "PbM1", "SbM2", "PbM2", "SbM3", "PbM3", "SbM4", "PbM4", "SbM10", "PbM10", "SbM11", "PbM11", "SbM12", "PbM12", "PbM13", "PbM14", "SbM15", "PbM15", "S1", "S2", "S3", "S4", "S5", "S6", "S10", "S11", "S12", "S13", "S14", "S15", "S16"]

atoms_x:
0B4qANAeKgBQ1x4AUNceAFCkGgBQpBoAwKslAMCrJQDA7h4AwO4eAOCrGQDgqxkA8PAUAPDwFACwDQsAoHcQAPC4FQDwuBUAED4qAKAXIADwoBkA4DckADCNLgBQJhYAoPYYAHADFABQUA8AYJcSAGAVFwCQvRsA8I8gAA==

atoms_y:
gIQeAICEHgCAhB4AgIQeAAAAAAAAAAAAAAAAAAAAAACAhB4AgIQeAICEHgCAhB4AgIQeAICEHgAAAAAAAAAAAAAAAAAAAAAAgIQeAICEHgAAAAAAAAAAAAAAAACAhB4AgIQeAICEHgCAhB4AAAAAAAAAAAAAAAAAAAAAAA==

atoms_z:
cLkwAHC5MADQijEA0IoxAOCaOQDgmjkAwFI4AMBSOADwhhUA8IYVAKA2HwCgNh8AIO4oACDuKACwcigAANYfAOCLFgDgixYAAHg3ALB2OADAiTMAMEMyAECiMQCwBjoAUO0SALDyGwDARyUAkHAsAGAxIwAwiBoAAK0RAA==

atoms_occupancy:
wAIkAEAGGQDAJwkAQOEzAAAnOAAA4gQAAEUzAADECQAARTMAAMQJAABjLgAApg4AQI4sAMB6EAAACT0AAAk9AABTBwAAtjUAAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AA==

atoms_u_iso:
gDgBAIA4AQDgpQEA4KUBAECWAQBAlgEA4KUBAOClAQCghgEAoIYBAEATAgBAEwIAIMUBACDFAQAA9AEAIEgBAMBRAgDAUQIAYOoAAOAoAQCAuwAAYOoAAIA4AQCgCQEAQBkBAAD6AAAgywAAQJYBAOAoAQAAdwEAYOQBAA==

qdat:
AAAAIAAAFAQADAAAQSEBQECBAGGxWFohWANNg4WSacjPJyi18qVjjMU9ZPG1uHBfI44jL6FWBQkEQAw06wy4r1pF6dSaJQoBgCAEAAAAAKnXP0y63W+XCqJAwEAgAAAAAAADdmT91X9sqYMEBAAAAAAAAAAAAB7/7z917x==


formula: Sb4.35 Pb4.65 S11
compound: Synthetic
pub_title: Refinement of the structure of boulangerite, Pb5Sb4S11
formula_title: <missing>
a: 23.490
b: 21.245
c: 4.020
alpha: 90
beta: 90
gamma: 90
cell_volume: 2006.161
crystal_density: 6.111
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
atoms_sites:
["SbM1", "PbM1", "SbM2", "PbM2", "SbM3", "PbM3", "SbM1O", "SbM11", "SbM12", "PbM12", "PbM13", "PbM14", "PbM15", "S1", "S2", "S3", "S4", "S10", "S11", "S12", "S13", "S14", "S15", "S16"]

atoms_x:
sFMQALBTEADQZRoA0GUaAPB3JADwdyQAkDocABAGEgCg3wcAoN8HANAgAAAgxwkAULUTAPAnKQDghx8AQBgWABCODAAQQBkAYCwPAOBbBQCQngMAQE4NAFC8FgBQTiAA

atoms_y:
kJkhAJCZIQBA9BsAQPQbAICCFgCAghYAEKIRAMBQFwDwoR0A8KEdALC2JQBgsBIAALIMAOAUFQAARRoAMGofAKBjJABAcwsAwPcQANCvFgBgSR8AMI4ZAPBBFACwcg8A

atoms_z:
wMYtAMDGLQDAxi0AwMYtAMDGLQDAxi0AwMYtAMDGLQDAxi0AwMYtAMDGLQBAQg8AQEIPAEBCDwBAQg8AQEIPAEBCDwDAxi0AwMYtAMDGLQBAQg8AQEIPAEBCDwBAQg8A

atoms_occupancy:
AGMuAACmDgCAhB4AgIQeAEAGGQDAAiQAAAk9AAAJPQAAgSkAAIgTAAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0A

atoms_u_iso:
4CICAOAiAgAgQgIAIEICAGDkAQBg5AEAYOQBAOCfAgAA9AEAAPQBAAD0AQAgSAEAwFcBAMBXAQDAVwEAIEgBAKADAgCgCQEAYOoAAGDqAACgAwIAAHcBAMDUAQBgZwEA

qdat:
AAAAAAAAAhQAAIAAAJECICAQAAWUkUlUgxFDo6DF9AQaXSNjqKXn93Nq8wtdNBXdBq0D2qWKpFKAFQLc6WmRlJ0RwN9WVKmAaAQgIACAWj1GuJcbBquuqwOAiCAEAAAAAAOttrJ58brtbBwSCAQAAAAAAAAAXPnZq8X63Q==


formula: Sb2.56 Pb1.44 S5
compound: Synthetic
pub_title: Structure of Pb2Sb2S5 Note: polymorphic with veenite
formula_title: Pb2Sb2S5
a: 11.355
b: 19.783
c: 4.042
alpha: 90
beta: 90
gamma: 90
cell_volume: 907.979
crystal_density: 5.636
atoms_sites: ["SbM1", "SbM2", "PbM2", "SbM3", "PbM3", "SbM4", "PbM4", "S1", "S2", "S3", "S4", "S5"]
atoms_x: UO4WAODbKgDg2yoAcO48AHDuPABgwigAYMIoAGA2HgDw8TEAIAo1ADCKIgBwOg8A
atoms_y: sKwWAGAKHQBgCh0AgHYYAIB2GAAgyREAIMkRAOBLEADQfRYAwM8fAFDDGQCAERQA
atoms_z: QEIPAEBCDwBAQg8AwMYtAMDGLQDAxi0AwMYtAEBCDwBAQg8AwMYtAMDGLQDAxi0A
atoms_occupancy: AAk9AIDuNgCAGgYAAIgTAACBKQCAwBQAgEgoAAAJPQAACT0AAAk9AAAJPQAACT0A
atoms_u_iso: YBwBAGD9AQBg/QEAAMIBAADCAQDwewIA8HsCAFAnAQAwJAEAIEgBAKCGAQAA2wEA
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAACAAAAAAAEQAYAAIAEAgAIBYEAEDoYAQIMAA4YBDBAhJgQ64MIwJ5gXGGOgBMAUBj8FtE7NrkWAYQ2FSk9UNmqNqmYqDkqDdJu7M08TwckUoNsNGSkUCARbRilzUETToVjWJ5NKKiCQGVEEECAlHIy5dwxK05==


formula: V2 O5 Na.56
compound: <missing>
pub_title: Structure of Na0.56V2O5
formula_title: Na0.56V2O5
a: 11.663
b: 3.6532
c: 8.92
alpha: 90
beta: 90.91
gamma: 90
cell_volume: 380.009
crystal_density: 3.404
atoms_sites: ["V1", "V2", "O1", "O2", "O3", "O4", "O5", "Na"]
atoms_x: 4Cw5AFg1DgBwgRgAwPQEAOB4LgDQOzoAEFYNABCUJAA=
atoms_y: AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA=
atoms_z: sB0KAPAjCgDwVwgAYBcGAEBABwCQGRUAMBAVALBQHQA=
atoms_occupancy: AAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAuIgA=
atoms_u_iso: kIgAAECNAAAIwAAAGLoAAOjLAAAAHQEAaFABAMhmAwA=
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAACAAAAAAgAACAEAAAAABgAIAARAAwJAQAQAAogAAGAAZCJAIGUQKgALAgKCpUlgoQBGAiHMg6AYCGKBLxshUgRAhfowVwGCCVNyqgDWSKw3om69JedQIivf02icAiciUSWxgqi0P8BYkz2hcEQk0VSqEYCkc==


formula: Br4 Mn Ca O8
compound: <missing>
pub_title: Structure of calcium manganese(II) tetrabromide octahydrate
formula_title: CaMnBr4.8H2O
a: 9.062
b: 9.582
c: 9.405
alpha: 90
beta: 112.96
gamma: 90
cell_volume: 751.958
crystal_density: 2.397
atoms_sites: ["Br1", "Br2", "Mn", "Ca", "O1", "O2", "O3", "O4", "O5"]
atoms_x: sOwcAICEHgCAhB4AkHMGAKCcDgCgRAwAgPwKALCl+v/gqfj/
atoms_y: AAAAADAoEQAAAAAAAAAAAAAAAAAAAAAAUPINABDrCQAAAAAA
atoms_z: oF0MAICEHgCAhB4AcBgEANBSGQDQN/j/EGgKAMDY+P+goQkA
atoms_occupancy: AAk9AAAJPQAACT0AgIQeAAAJPQCAhB4AgIQeAICEHgCAhB4A
atoms_u_iso: IEICAAA/AgBgmQEAELcBAND7AQBQmgsAYN4CACBuAwDQIQQA
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAQAAACAAAABAIQwAAAAABCYAQIACQAgICQYEAIA0EARjChAIA0ECiIUOMAJxQFAivIcIwBEeeHsomcwqpEzm0iR17tML9w/cXzsw52v9d/eOt9bbZp3H6nV/1nUH92XPGZM67q+yHm+Z3ihOQXNy3WDZoal==


formula: Pb2 As O3 Cl2
compound: <missing>
pub_title: Structure of dilead(II) hydrogenarsenate(III) dichloride
formula_title: Pb2AsO2OHCl2
a: 6.410
b: 5.525
c: 9.293
alpha: 90
beta: 90.69
gamma: 90
cell_volume: 329.090
crystal_density: 6.138
atoms_sites: ["Pb1", "Pb2", "As", "O1", "O2", "Cl1", "Cl2"]
atoms_x: MKARAMBRIABgNC8A8EEtALBYJACwqg4A4BY2AA==
atoms_y: QEIPAEBCDwBAQg8AQEIPAADhAABAQg8AQEIPAA==
atoms_z: 0PYaAPA2MwDwFRMAoGIHAHB6FQAwBgYAMDQoAA==
atoms_occupancy: 0
atoms_u_iso: sDABADBvAQDwBAEAgDICAOAoAQBg5AEAQJYBAA==
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAIAAAAIAAAgAkAAgAEgEAACBCAADhFAIRAQQAYRglqEFQgoEhVKZhYAOWjwuxAqAk3ulN5jTmp3iTVZb5hQaeW/JxN7Vr1Tpvqqf6Hyet3rXb7d4NfNe3v9Vj6//zv/zd+37n590X/tz7/vtb/x2//b/3rk9==


formula: Ge2 (Ca1.003 Na1.997) O6
compound: <missing>
pub_title: Structure of sodium calcium germanate Na2CaGe2O6
formula_title: Na2CaGe2O6
a: 10.788
b: 10.788
c: 13.460
alpha: 90
beta: 90
gamma: 120
cell_volume: 1356.618
crystal_density: 3.606
atoms_sites: ["Ge", "CaM1", "NaM1", "CaM2", "NaM2", "CaM3", "NaM3", "CaM4", "NaM4", "O1", "O2", "O3"]
atoms_x: AC4JAAAAAAAAAAAAgIQeAICEHgCAhB4AgIQeAAAAAAAAAAAAcPwQAKAKBQAQdhAA
atoms_y: ANL2/wAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAMG8BANAk9/9wAfP/
atoms_z: EJsiABAYDwAQGA8AAAAAAAAAAACAhB4AgIQeAAAAAAAAAAAAsCUgAHB/KQDQuCEA
atoms_occupancy: AAk9AMBcFQBArCcAgBoGAIDuNgDAzRcAQDslAABFMwAAxAkAgIQeAICEHgCAhB4A
atoms_u_iso: aPEAAOB9AQDgfQEAgB0DAIAdAwDw1gEA8NYBAODcAQDg3AEAwFECAMiLAQBgFgIA
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAACAAAAAUAAAKAAAIAAKAAmAAAAJAEwAoBMCEAkEoAACCcExJCIlQYAQpSqlQCVSwCCVRkxJaWAjXQjilpgAlbngj3AmcNYC2gRXdZVzBM9zC4QDeLlVoTW2Acggl2VCF1Rg2AI3UsxBUBJALEy1AlCUAAx==


formula: Cu2 P2 O7
compound: <missing>
pub_title: Structural refinement of low-temperature copper(II) pyrophosphate
formula_title: Cu2P2O7
a: 6.895
b: 8.113
c: 9.164
alpha: 90
beta: 109.62
gamma: 90
cell_volume: 482.863
crystal_density: 4.141
atoms_sites: ["Cu", "P", "O1", "O2", "O3c", "O3t"]
atoms_x: kOT+/5AODAAAAAAAUO4WAAB6DQAQ5QoA
atoms_y: wBgTADB1AAAg2AIAIAMAAPCDCQDAy/b/
atoms_z: 0PIeAHCNDABAQg8A4A4WAIDiBgAwMgcA
atoms_occupancy: 0
atoms_u_iso: 8KAAADB1AABAlgEAUJEAAACvAAAg/QAA
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAAAAACAAAIBEAEAAAQAAKAAAAAIgACQsAEAgSAwAwAkAgBBoQUA2AUsBETAQAYUoCaTCAoEOBTsIJnLAiKoKNXAVKqk4Yym6C4z9wKc05VapP+pdi6yodP73N8XxwTeMxtu2lch/EqI0OdMr5LehOyS==


formula: As S Na3 O15
compound: <missing>
pub_title: Structure of trisodium monothioarsenate dodecahydrate Sample: T = 213 K
formula_title: Na3AsO3S.12H2O
a: 9.220
b: 12.831
c: 13.906
alpha: 90
beta: 90
gamma: 90
cell_volume: 1645.105
crystal_density: 1.679
atoms_occupancy: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
atoms_sites:
["As", "S", "Na1", "Na2", "Na3", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "O11", "O12", "O13", "O14", "O15"]

atoms_x:
aCkPAHBNEADg5w8AACMPAACmDgBg8wsAUJkHAGAJGQDg0BcAYJ4VAGBCAwDAOBsAAA8KADBXBQAgZhUAwBEVAGD3AgAgmwgAgK8bAODGCAA=

atoms_y:
0KUbAFDaEQBQ+AwAkH4AAOBp8v/AGRwAYGIfAJBzHwAAzBAAsMUWAFAfEwDw+QYAoOYKAGBuBABw/fv/0Nn2/+CK+f9Q0On/gDns/9AHAAA=

atoms_z:
+IMQADjnDQDQ2CQAsB4dANDbFwAwmhcAoEQMADDKDwCApy0AgHggAPBlJwBQTiAAMD0aAGCPJABQlhQAQGwhACAvGgAAfh0AEJcXANA2DQA=

atoms_u_iso:
sJ8AANAaAQAQhQEAAF4BAIA4AQBQJwEA8AQBALDlAADgcwEAAEUBALBiAQAgegEA4KUBAFByAQAwiAEAQH0BADBWAQAQhQEAEGwBAOAcAwA=

qdat:
AAAAAAAAAAAAAAAhIAhAEISAQoEJkgRBS8QZySWDe6Ggm3fLttLf+blW/Xnf4/t/t/7+3//X7vv//7v/7////7/3v////f7///X7/f//vv//u/+//7fv99+/v2//7vd/9eb/2qdo+SM3aqO0xQCtgEBYIABAAABAAAAAAA==


formula: Sn Co4 O16 C16
compound: <missing>
pub_title: The structures of [Sn{Co(CO4)4}4] and [Pb{Co(CO)4}4]
formula_title: SnCo4(CO)16
a: 17.255
b: 17.255
c: 17.255
alpha: 90
beta: 90
gamma: 90
cell_volume: 5137.417
crystal_density: 2.075
atoms_sites: ["Sn", "Co", "O1", "O2", "C1", "C2"]
atoms_x: AAAAAGCM+v8QofT/gDv0/9DZ9v9Qzfb/
atoms_y: AAAAALCM+v8QofT/MJsCANDZ9v/wjf//
atoms_z: AAAAALCM+v8QofT/4Fj5/9DZ9v+Q8/n/
atoms_occupancy: 0
atoms_u_iso: iK0BACBHAgBAOwcAWKMEAMDrAwAI8AIA
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAQAAAAQAAAgAAIAAQACAAAAIBEAIAIAgCAICAEAgEFAIKAhAECBBQAoEACGBFBABCACCCAEAAQBCAAQACAQAAAACAAAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==


formula: Pb Co4 O16 C16
compound: <missing>
pub_title: The structures of [Sn{Co(CO4)4}4] and [Pb{Co(CO)4}4]
formula_title: PbCo4(CO)16
a: 12.184
b: 12.267
c: 17.220
alpha: 90
beta: 90
gamma: 90
cell_volume: 2573.721
crystal_density: 2.300
atoms_occupancy: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
atoms_sites:
["Pb1", "Co1", "Co2", "O11", "O12", "O13", "O14", "O21", "O22", "O23", "O24", "C11", "C12", "C13", "C14", "C21", "C22", "C23", "C24"]

atoms_x:
QEIPAEAHBACgHw4A4F74/+CZAwCgxwsA4L39/2CiDAAgTgAAQK0SAOCYGACAVvz/IDYEAKDZCABAHwAAAC8NAGDMBQAg6BAAgEMUAA==

atoms_y:
wMYtAHD3LgAwvCIAoOkvAEBZIACAazcAYCk1AGDjFgDgwSYAQPoaAMBnKACgbC8AABYmAGAvNABguDIAgJYbAEC+JADAJh4AoKImAA==

atoms_z:
UF8ZAHC4EwDw/x4A4NoNAIBJEwBAyw0AYMUbAMD8JADgaCAAIMQWAIBaJQCA3g8AwGgTAMD9DwBg1xgAoLoiAMCdHwCAHxoAgOkiAA==

atoms_u_iso:
IC4CAFjIAgDQoAIAUGkFAOi6BwAgLwYA6LoHAOi6BwBYowQAUGkFAFBpBQBYowQAaCsDAKi0AgBYowQAaCsDANi1AwAw3AIAWKMEAA==

qdat:
AAAAAAAAAAAAQEBAAwAAwhCAYhMzMDIkCQYPtUfLbQ9/+cGfH//f/66+77v1////P//97//f/////v//3//3f///////////7/////7/f722v///t6o/jnQbhanEBsEGIAMAAgAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==


formula: O Cl Na3
compound: <missing>
pub_title: Structure of Na3OCl
formula_title: Na3OCl
a: 4.496
b: 4.496
c: 4.496
alpha: 90
beta: 90
gamma: 90
cell_volume: 90.882
crystal_density: 2.200
atoms_sites: ["O", "Cl", "Na"]
atoms_x: AAAAAICEHgCAhB4A
atoms_y: AAAAAICEHgAAAAAA
atoms_z: AAAAAICEHgAAAAAA
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: ["O", "Cl", "Na"]
atoms_aniso_u11: 0M8AABC3AQBQwwAA
atoms_aniso_u22: 0M8AABC3AQBwUAMA
atoms_aniso_u33: 0M8AABC3AQBwUAMA
atoms_aniso_u12: AAAAAAAAAAAAAAAA
atoms_aniso_u13: AAAAAAAAAAAAAAAA
atoms_aniso_u23: AAAAAAAAAAAAAAAA
qdat:
AAAAAAAAAAAAAAAAAAAAAAAIAAAAAAAAAgAAAAAAIAAAAAEAAAAAgAAAAgAAAAAAABAAABAAACAAAIAACAAAgAAQAAAAAQAAgABAAEAAQACAAQAAAAQAEACAAgAAAEACAAABABABABACACACAAAIAQBACAEAQAgAAIAgCA==


formula: V K O7 H4
compound: <missing>
pub_title: Structure of dipotassium aquadioxotetraperoxodivanadate(V) trihydrate Sample: T = 153 K
formula_title: K2V2O2(O2)4(H2O).3H2O
a: 6.501
b: 7.882
c: 7.501
alpha: 107.18
beta: 95.50
gamma: 116.20
cell_volume: 317.797
crystal_density: 2.153
atoms_occupancy: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
atoms_sites:
["V1", "V2", "K1", "K2", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "O11", "O12", "O13", "O14", "H1", "H2", "H3", "H4", "H5", "H6", "H7", "H8"]

atoms_x:
gNoYACAmDwAAAAAAwFomANCIEACQnRgAYGomADAFGwDQESgAgNwHAAAZAACQuCAAgLciACA3CADwwgsAEFErAKAULQAwcQkAABcRAEANAwCAuSoAABAnAIBIKABArCcAwCcJAEB+BQA=

atoms_y:
YHQ1ANAWIwAAAAAAQBMbADANOwCgdToAsEoFAGBrKgCAvDYAwPwkAEAcJgAwNCgAILAqABB3FACwJygAEMUHAHAYHQCAIQkAABAnAACfJAAAcQIAQO8HAEAkFAAAvR8AwAkOAIA4AQA=

atoms_z:
8FQuAODGOgAAAAAAsEsiADB/KADAJQEAoDc8AABNIQAgEycAYMMsALDsNQDAdzYAEAMGANAbNwDQsw0AMHUZAAAWDQAwYhgAAIgTAMAJDgDAIB8AQCQUAMC2BgCA/AoAQAYZAIDAFAA=

atoms_u_iso:
QKYAAPDDAABQXgEAKGgBAEBkAQAIFQEAkDwBAGhQAQBoUAEACBUBAJA8AQAwAQEAkDwBAADbAQBoUAEAyIsBAPB3AQDwUgMAaFABAGhQAQDIiwEAyIsBAPB3AQDwdwEA8FIDAPBSAwA=

qdat:
AAAAAAAAAAAAAAAQgACAAAAAABAgAAoAgAAAAQQMQAACQEAQgBACgFQFAAAFCCEgyShhIAQUABGhNEEh1ACcAABGEJHongEKk0wEsLyHhb7WEAYjt5mKyZ3JLdIV0vUrxPtVWPahvY5tba3wzAwfD78VLD/j422Hp3bJld==


formula: Ru S2 O6 N4 H14
compound: <missing>
pub_title: Structure of cis-tetraamminebis(hydrogensulfito)ruthenium(II)
formula_title: Ru(HSO3)2(NH3)4
a: 6.2019
b: 7.0213
c: 11.761
alpha: 90
beta: 115.30
gamma: 90
cell_volume: 463.014
crystal_density: 2.377
atoms_sites: ["Ru", "S", "O1", "O2", "O3", "N1", "N2", "H", "H11", "H12", "H13", "H21", "H22", "H23"]
atoms_x: AAAAANh79/+Az+z/EBUDALDz7f+QDBMA0GEKAEB58f+ATxIAYPsSAMA+GgAAOwsAYH4SAOAKBgA=
atoms_y: AAAAAKDmDwAQZRcA4GYYAGBqDQDwbgAAEBcLAOCMGgAgKgYAYIv7/8Bj///AsAcAYCUMAIBVEQA=
atoms_z: AAAAAGDYAwCQffz/8HAIAICqBwDwrwoA4Oj6/8D++v+AcwwA4F0NAGC0CQDAFvf/AAz+/2CX+f8=
atoms_occupancy: 0
atoms_u_iso: UMMAAPj3AAC4kQEAEHYBALCZAQBQXgEAsDABAFjIAgBYowQAGD8DABAqAgBoKwMAUI4DADDcAgA=
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAABCCAAABCAAACBAIEQASAICIQAwBghABFYJskCAQgGuiFmHElAXJEQNOUQS6RYlUVZcK5x4UYP2aHPLUYp9aSH+tHmzX97djy5ffz1/e7tL+976vo/v9f+2fn3fpZ5H+JuPrnf91u3uq3l3tbzbfP9==


formula: Hf Cl4 O2 C8
compound: <missing>
pub_title: Structure of cis-tetrachlorobis(tetrahydrofuran)hafnium(IV)
formula_title: HfCl4(C4H8O)2
a: 7.914
b: 12.806
c: 14.357
alpha: 90
beta: 90
gamma: 90
cell_volume: 1455.034
crystal_density: 2.047
atoms_x: aGo3ABBuCQBAuzEAUGE6ADCIAQBgdygAAGMuAAClIwDg/RwAoPAZAGCbIgCgriQAADogAIBCKQDgAjEA
atoms_y: oEs8AACeOQCw8wYAMAU0AHBRBwBgnwAAsFY1AED1BgAAWQYAYP87AEDDOADg3jYAAFcwAIAwLABAgi4A
atoms_z: yDc3AFAUMgCQWDAAUPUAAOAVAAAAeTsAYFQyAHBYPADgFgQAYFUEAAB3AQCwFi8AAOYtAIAqLQDArjEA
atoms_occupancy: 0
atoms_u_iso: 8KMCAJCJBAAArAMAELkEAAAoBQDwUgMAMNwCAPhnBAD4QgYAWKMEADjMBQBwQAQAIFQEAODKBADoGAQA
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
atoms_sites:
["Hf", "Cl1", "Cl2", "Cl3", "Cl4", "O1", "O2", "C11", "C12", "C13", "C14", "C21", "C22", "C23", "C24"]

qdat:
AAAAAAAAAAAAAACAIRACAJIAACFKDQYcikINxAwq4UanELmU3qjdhun/bf73f4+lnX7/f29//73/9//d/9/+/7/7fuX3/+/Xc/99/P//9//////pX//O//ey/f/vr+b/lzH1f//d/3//7fj1f3yf+yfuq5WHUlXBADQCEg==


formula: Co Cl2 O10 N8 C12
compound: <missing>
pub_title: Structure of hexaaquacobalt(II) dichloride bis(hexamethylenetetramine)* tetrahydrate
formula_title: [Co(H2O)6]Cl2.2C6H12N4.4H2O
a: 9.508
b: 9.428
c: 9.309
alpha: 78.86
beta: 105.08
gamma: 120.13
cell_volume: 694.910
crystal_density: 1.305
atoms_x: gIQeAOAdOQDApioA0AYVAMAGGwAgHwwA4O4rAKAsKQBgrycA0DguADDOOADAqjoAcNkzAFB9LQCA5SsAoB04AND+JgA=
atoms_y: gIQeAMBcLgDQvRwAwJoTABCcEgBw4QgAQGcNAPCEDQBgQgMAYAMBADBeCABQuxIAkJwUAEBUDADQLQIAUIMTADBsDgA=
atoms_z: gIQeAEBzCwBw4iUAYAAnAFBSFwBgHgkAkAcxAHDLFADA/xcAEF4UAHCHFwDAYhQA8PcXAADvBgCwXgoAEGgKAPDICgA=
atoms_occupancy: 0
atoms_u_iso: QJYBAMDIAwCg/QIA4BwDAOCfAgDAPwUAoP0CAIAyAgDAUQIAIEICAGBhAgAgQgIAYGECACBCAgCggAIAoIACAECQAgA=
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
atoms_sites:
["Co", "Cl", "O1", "O2", "O3", "O4", "O5", "N1", "C1", "N2", "C2", "N3", "C3", "N4", "C4", "C5", "C6"]

qdat:
AAAAAAAAAAACBgAACAAgAAQIABgEBAEAAMggkISmAEjGEAOGAURGgQBpgXdSRoxANELl8gYkxyehXN885lOn1cW1Fq1Pt/r6B+/27Hr/5//V8321v++/v6+//H/f1//Zv99v+f3+/d5/1vv/+n+Pd7/f/7d3337X7+5///==


formula: Cr P2 O10 N3 H22
compound: <missing>
formula_title: Cr(HP2O7)(NH3)3(H2O).2H2O
a: 7.825
b: 10.107
c: 15.322
alpha: 90
beta: 103.92
gamma: 90
cell_volume: 1176.188
crystal_density: 1.909
atoms_occupancy: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Structures of the meridional and facial isomers of triamminechromium
 pyrophosphate dihydrate
 Sample: a) meridional monoaquatriammine(pyrophosphato)-chromiun(III) dihydrate

atoms_sites:
["Cr", "P1", "P2", "O1P1", "O2P1", "O3P1", "OP12", "O1P2", "O2P2", "O3P2", "Wat1", "N1", "N2", "N3", "Wat2", "Wat3", "HO3P2", "H1W1", "H2W1", "H1N1", "H2N1", "H3N1", "H1N2", "H2N2", "H3N2", "H1N3", "H2N3", "H3N3", "H1W2", "H2W2", "H1W3", "H2W3"]

atoms_x:
kAAVAIA8KgDgVycAELIfAJAtMwBgwigAYCEuAMB9HACA8i0AoAwmACC1DABAFQoA8D0dAOC0CwAg2QYA0CYxAMCRIQAgiQsAYK4KAAC4CwDg+AgAYNIEAMDHGADAIB8AALEhAAAvDQAAKQ4AYNgDAOCBBwAgVP//4IUwAADgLgA=

atoms_y:
MJcLACABEQAwsxcA8HEMANC/CwBQlxgAsNcTADCAEwDg1hYAILogABCrAwDgiAoAMAUCAHBOFADgbgYAQC0GACD/IQCASv7/wEUEAODaDQCAnQUA4OYLACDX/v+gFf//QIoDAGBUGQBAJBQAYHgTAIA4AQBgQwcAQNcLAADcBQA=

atoms_z:
ECgEAHBiAADgoQoAQNT//8CV//8g/Pz/cLsGAGBpCQDgSxAAIDEJAFDP/v+A7wgAkGcIAGBz//9w4vP/gDYSAIAUBwBgbQAAoLD6/6BEDABA4wkAICQHAADECQBgzAUAwBsLACDLAAAAGPz/4Lf+/2DH8f+gXfP/YIQRAMBcFQA=

atoms_u_iso:
CHQBAMiLAQBAuQEAYAwCAMBRAgBQewIAyEkCAFgUAgDYmAIAsKwCAOjxAgCQYwIA4EUCAGBrAgBAUgQA8M4EADDcAgC4AwMA8FIDAPBSAwCQFwMA2LUDAPBSAwDQewQAMNwCABAFBADoGAQAiN0DANi1AwAQBQQAOPEDAJgsBAA=

qdat:
AAAAAAAAAAAAEBgAAMABCBgEJgBEQGwBAB2qGCgChO6XBS9lOF6bMHNa7If1553vefrj9/32t7P3U3+P/X393fef9319//9/e7//zf+//n9//3//////5//j7////v/7//t9/b9Ny/pl//++t/+v3zvvy/N/Zti5rq+wtf==


formula: Cr P2 O9 N3 H18
compound: <missing>
formula_title: Cr(HP2O7)(NH3)3(H2O).2H2O
a: 8.695
b: 10.327
c: 11.913
alpha: 90
beta: 97.81
gamma: 90
cell_volume: 1059.785
crystal_density: 1.994
atoms_occupancy: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Structures of the meridional and facial isomers of triamminechromium
 pyrophosphate dihydrate
 Sample: (b), alpha,beta,beta'-tridentate triammine(pyrophosphato)
 chromium(III)dihydrate dimer

atoms_sites:
["Cr", "P1", "P2", "O1P1", "O2P1", "O3P1", "OP12", "O1P2", "O2P2", "O3P2", "N1", "N2", "N3", "Wat1", "Wat2", "HO3P2", "H1N1", "H2N1", "H3N1", "H1N2", "H2N2", "H3N2", "H1N3", "H2N3", "H3N3", "H1W1", "H2W1", "H1W2", "H2W2"]

atoms_x:
UBwHADClEQDgMQwAYBkOAHDDDQDAMhwAMNAOACBpCACw/wQAcP0UAGDw//8wogUAoLATACC5HABgfQ4AYE4aACBs+/+AqQMAIN39/8BdAADALQgA4IEHAAB2FgDAVhYA4DkTAAC3IADg5SAAYBMPAGByFAA=

atoms_y:
cJL4/yDmCACQIP//cG8CALCeEABgUAkAkPAGAOA/+f/gpQEAsBz8/7Al7v8QXff/sIry/4DKIwAAQB8AIPv4/+Ca7v+gk+r/IEPt/8Ac9v9gu/P/QMD6/0Dq8/+AD/P/IMDt/8CdHwBg9CgAICkbACCOHwA=

atoms_z:
QKb2/zD9+v/AOQYAEBj2/+AN+f9wL/z/oGcCACCyAABQuQoAwJ4KAKBF9/8wJez/MC73/yDgCQDwW///wLAHAKC8+P/Ah/n/4P/y/2Dx6v9AIOv/IFXq/0Bn9P+AYvr/oEv2/6BEDADAqggAQCv+/0ATAgA=

atoms_u_iso:
YK0BAKD+AQDQ7AEA0P8CAGDCBQBQAAUA6FoDAMhJAgBobQIAiH4DAIC+AgCYugIAEEcDAEgIBQDAngUAQLwIACBUBADwUgMAUGkFAPBSAwD4jAIAuAMDABDgBQA48QMAgI8EAEAGBQDYawcA0HsEAFijBAA=

qdat:
AAAAAAAAAAAAQEABACAgMARCIhIgFAECpFIUFBgivGKX4GHcH2hG6T9T9/Bqxv9rnvs++fd2v/e7tdx///v3/+/fv/+/n/v/+/+9v/////9/u3///f///9//////7/3f9/r/f+f//+O+/PuXas7712qsns9uTcJHNx5IAz==


formula: Th S3 Na2 O18
compound: <missing>
pub_title: Structure of disodium triaquatri-u-sulfato-thorate(IV) trihydrate
formula_title: Na2Th(SO4)3(H2O)3.3H2O
a: 5.567
b: 16.81
c: 15.76
alpha: 90
beta: 91.925
gamma: 90
cell_volume: 1474.008
crystal_density: 2.984
atoms_occupancy: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
atoms_sites:
["Th", "S1", "S2", "S3", "Na1", "Na2", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "O11", "O12", "O13", "O14", "O15", "O16", "O17", "O18"]

atoms_x:
oCsMABA4EgCAIyoAYEwrAADuGwDwwBwAAFkGAEBHCgBwDg4AYF4PAMCADwDAYhQAQL4LALDaHwAA2zMAYEI1AGCHNgAA5CUAEP0fAKCpKQAAri4AQEA5AOCZHABg4isA

atoms_y:
cOAEAPCBGgCgEgwAYOsEAFCCDwCArhcAEDseABAGEgBA4BYAAHgeAPDZAwDAShgAMKQNAKD3HABg3hsA4HkZADA4BgBA3QoAsJYJAEBPEQCQ4BEA0EgKAMBYBQDQbQgA

atoms_z:
sFkPAPBmEgCwGQkAgD4ZAKDRGgDQeQYAQK0SALBcAgDgcA4AgHcDACCtBQCQihcAMDUTAPC9EACwGQkAQMIbAPBtFQDQvQMAQJ8MAIACCgDQBhUAsEUKAHCmFgAAfh0A

atoms_u_iso:
ELgAAKiEAACoegAAyHgAAEhcAQAYDwEAiOUAALiRAQBY9wAAMAsBAJg+AQDYJgEAkOcAALAwAQBg+QAAwJMBAMjNAAA4AwEAYPkAAJBGAQBwSAEAcPMAAEAFAQAwAQEA

qdat:
AAAAAAAAAQAAEISAAARBBQEuQhGMUIkRkXQMM6wrLl+i23r01H63N/fh9/ffz7+/1+1+7q3/z83P7fvfvv/31O/8Lt7rQ/9+/rX/vzvv7193q/vxX///n+s+V+XfXi+1L7xpvuVb28519Z9fc3Xjkjf2zjdmb/azWv1qrz==


formula: Y Cl3 O6
compound: <missing>
pub_title: Structure of hexaaquadichloroyttrium(III) chloride
formula_title: YCl2(H2O)6Cl
a: 7.8346
b: 6.4729
c: 9.5817
alpha: 90
beta: 93.768
gamma: 90
cell_volume: 484.862
crystal_density: 1.995
atoms_sites: ["Y1", "Cl1", "Cl2", "O1", "O2", "O3"]
atoms_x: QEIPAFDmDwDAxi0AcIkGAOB0BQAQnf3/
atoms_y: QH8JAOA49v/AH+n/8E0SAPDrGQAgPAMA
atoms_z: QEIPADCuAwBAQg8AoJ8aAEDpCADQTw0A
atoms_occupancy: 0
atoms_u_iso: oAkBAIC1AQDA1AEAIMUBACDFAQAgxQEA
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAIAAQAAEAhAAQAJQAAAoICQiCgAyQBgJAISgWKICBMMchyCUKImmWLi/JJsVKTYpUYZVrCn9nWaOu07stfu+vqz9+Xe3Z/t77n3drX3tu/3/X+PPt57/7/732//+7Xdnd89f+X+733//77fzd0+9v+7v9f==


formula: Ba Ag P O9 C3 H8
compound: <missing>
pub_title: Structure of silver(I) barium phosphoenolpyruvate trihydrate
formula_title: AgBaC3H2O6P.3H2O
a: 6.578
b: 23.811
c: 6.610
alpha: 90
beta: 90.57
gamma: 90
cell_volume: 1035.265
crystal_density: 2.979
atoms_occupancy: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
atoms_sites:
["Ba", "Ag", "P", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "C1", "C2", "C3", "H3", "H31", "H7", "H71", "H8", "H81", "H9", "H91"]

atoms_x:
IPMtANiGBQCIfxEAEBQYACDABgAw6Q4A0NYcALDkLgAQMSgAMO0eAEBZOQAwUR8AwDsnAPDfGwBwjBIAAL4KAGD7EgAAkyYAILIZAKCAAgAAzjEAoNIeAGDRGQA=

atoms_y:
QM0pADjnIQBIDCkAEBksAEi9JwCQSykAKC8mABDSIgAwwR0AUL4tAPCeJQBIqyUAuO8gACiwIgBI+yAAYB4iAABGHgDAQy4AIEAsAKCiJgBgDCUAoDcjAIDRJgA=

atoms_z:
yEcdANgyHQD49y0AMMooADCLJgAQuTsAEMgsAHBxIwCQGCoAIB8MAHAmCgDAvg0AQL8oAIDyLQAQCDMAYJo3AIB9NACg3wcAICQHAGDSBADgjQUAALIMAOD+BwA=

atoms_u_iso:
IMsAAMDUAQCAuwAAwFcBAOClAQAgSAEAQBkBAIC1AQAAdwEAAHcBAABxAgCAMgIAAPoAAGDqAABgZwEAwFECAIC1AQDgjQUAgKkDAKCAAgDgHAMAQO8HAAB3AQA=

qdat:
AAAAAAAABAAAAAAAkCQACAAiQAYQCABHxgOT7A2DAZiA4cj/sM3w8cfgHyQ4wPg/6/ptapnevMOhdaFf73/Xw961Oze439v3v/28v9/6tWnW8v4/d29/9ta/V/v17tXv//r/bfff3/+rrVn///3///P//3HGn/+/6//8//==


formula: Mn P3 O14 N2 C H6
compound: <missing>
formula_title: Mn2(NH4)4(P6O18)(C2O4).6H2O
a: 9.747
b: 9.751
c: 7.689
alpha: 99.92
beta: 105.88
gamma: 100.08
cell_volume: 673.084
crystal_density: 2.062
atoms_occupancy: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Crystal chemistry of cyclo-hexaphosphates. IX. structure of tetraammonium
 dimanganese cyclo-hexaphosphate oxalate hexahydrate

atoms_sites:
["Mn", "P1", "P2", "P3", "OE11", "OE12", "OL12", "OL13", "OE21", "OE22", "OL23", "OE31", "OE32", "O1", "O2", "Wat1", "Wat2", "Wat3", "N1", "N2", "C"]

atoms_x:
gGUzAOhsCgCIoSYAIOIWAKBnAgAAYAkA8DsuAEAXKwDQ5ioAsFEhADATIQDw6hUAMGEUAMAfAgAw2wgAsGM3AMDg///QgCIAwG4SAAALLABA1jkA

atoms_y:
GDsHAHj7GAAw7PL/qDvq/6BzGQCQPxcAgB0rADA3GwAQr/r/cOLz/1DE6/+g6eT/8MLy/yBIAQBA4jcA8BkKALAhKQAQ3jkAIGURAFA+EgAALAEA

atoms_z:
GEQrACgCFwBQdSYAsFoTAFDyDQAgzSEAkMErANCyIgCQKSMAcEguAIDnGgBgCwgA0CUUAABwMADQnQAA4P0cADB3CAAQewsA4LI1ACArCgBAcQMA

atoms_u_iso:
eOsAAMjXAAB46wAAgO0AAIBMAQAwagEA0CQBAFhWAQCglQEASLsBAMgsAQDAkwEAQMMBAGBOAQAQbAEAmJ0BAAB8AQC4IAQACNMBAEAYAgBA+wAA

qdat:
AAAAAAAAAAAUAAEAABAAIQEgAACFAUBAAGEiAAiSCIIiDphEFJICKMJrUETFQzLmAKsaAshIr2JA2eeIustvDG/qaTiP1W4xSverTTXtd+vzvqjrd+v/v9r69v9//vt7nl/v//14u/+39P//Zu//v/aFvqt4b/v51/39/n==


formula: Mn P3 O14 N2 C
compound: <missing>
formula_title: H28 Mn2 N4 O28 P6
a: 9.747
b: 9.751
c: 7.689
alpha: 99.92
beta: 105.88
gamma: 100.08
cell_volume: 673.084
crystal_density: 2.032
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Crystal chemistry of cyclo-hexaphosphates. IX.Structure of
 tetraammonium dimanganese cyclohexaphosphate oxalate hexahydrate
 _cod_database_code 1007191

atoms_sites:
["Mn1", "P1", "P2", "P3", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "O11", "O12", "O13", "O14", "N1", "N2", "C1"]

atoms_x:
gGUzAOhsCgCIoSYAIOIWAKBnAgAAYAkA8DsuAEAXKwDQ5ioAsFEhADATIQDw6hUAMGEUAMAfAgAw2wgAsGM3AMDg///QgCIAwG4SAAALLABA1jkA

atoms_y:
GDsHAHj7GAAg7fL/IDzq/6BzGQCQPxcAgB0rADA3GwAQr/r/cOLz/1DE6/+g6eT/8MLy/yBIAQBA4jcA8BkKALAhKQAQ3jkAIGURAFA+EgAALAEA

atoms_z:
GEQrACgCFwBQdSYAsFoTAFDyDQAgzSEAkMErANCyIgCQKSMAcEguAIDnGgBgCwgA0CUUAABwMADQnQAA4P0cADB3CAAQewsA4LI1ACArCgBAcQMA

qdat:
AAAAAAAAAAAUAAEAABAAIQEgAACFAUBAAGEiAAiSCIIiDphEFJICKMJrUETFQzLmAKsaAshIr2JA2eeIustvDG/qaTiP1W4xSverTTXtd+vzvqjrd+v/v9r69v9//vt7nl/v//14u/+39P//Zu//v/aFvqt4b/v51/39/n==


formula: Ca Li P3 O13 H16
compound: <missing>
formula_title: Ca2Li2P6O18.8H2O
a: 7.767
b: 10.144
c: 7.225
alpha: 105.17
beta: 102.76
gamma: 84.95
cell_volume: 535.566
crystal_density: 2.258
atoms_occupancy: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Crystal chemistry of cyclo-hexaphosphates. X. structure of dicalcium
 dilithium cyclo-hexaphosphate octahydrate

atoms_sites:
["Ca", "Li1", "Li2", "P1", "P2", "P3", "OE11", "OE12", "OL12", "OL13", "OE21", "OE22", "OL23", "OE31", "OE32", "Wat1", "Wat2", "Wat3", "Wat4", "H1W1", "H2W1", "H1W2", "H2W2", "H1W3", "H2W3", "H1W4", "H2W4"]

atoms_x:
sJ4LAICEHgAAAAAAIKAwAIDwIAAY/wsAcPYqAMD7OQBg+icAkBYJANAtGwBAeicAIOoYAADjCAAgiAcA8LwlADA9AQAA/hAAMH8PAADzFgBAmxUAAPQBAOAEBwBAsxEA4GMMAODODwBApxMA

atoms_y:
iL4OAICEHgAAAAAAyEcdALiWEACo1A8A8DgiAJDVFwDg6RcAUKoZAMDlEwCgwAgAkKEPADB+CwBgBg0AkHf9/8CXOQAgaiUAYG42AECi//+gkv//4KUBACB7NwCAYCQAQEcjAGBBMQBAyTcA

atoms_z:
IEQyAAAAAAAAAAAAMCQuACg2JACYFxQAYJo3APBCMQAgXSMAEO4VAEA3LgBwvCMAoH8XAHA4BwDw8hwAwEENAPDWEAAgAzIA4PI7AECmKABgNTMAoIsVAGB+EgBgZSsAICIxAKCzOAAgMAUA

atoms_u_iso:
aLUAACjHAQBQswEAILcAAAC5AADgtQAAYO8AAMiLAQBQ9QAA+BoBABANAQBgWAEA8BgBAED7AAAYDwEA8HcBAOAoAQAoJgIAgKsBAOg9AgCw7gEA6D0CAOg9AgAoxwEAiN0DAOg9AgCQFwMA

qdat:
AAAAAAAAAACAABAIAQAABICAAQECAICAQEMgRABCAGlAEMgQRjSKBkhIkQOcIaKgTajAl7cWIVN6hKZtz+i53q5Vxe+j9W85b7X7e3T/fvvm+3/znN/dL8//3L/dfX/8+t//8rZ4u3/+X/uevna7/7vv3dP/f37//Xfu/x==


formula: Ca Li P3 O13 H8
compound: <missing>
formula_title: Ca2 H16 Li2 O26 P6
a: 7.767
b: 10.144
c: 7.225
alpha: 105.17
beta: 102.76
gamma: 84.95
cell_volume: 535.566
crystal_density: 2.208
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Crystal chemistry of cyclo-hexaphosphates. X.Structure of dicalcium
 dilithium cyclo-hexaphosphate octahydrate
 _cod_database_code 1007192

atoms_sites:
["Ca1", "Li1", "Li2", "P1", "P2", "P3", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "O11", "O12", "O13", "H1", "H2", "H3", "H4", "H5", "H6", "H7", "H8"]

atoms_x:
sJ4LAICEHgAAAAAAIKAwAIDwIAAY/wsAcPYqAMD7OQBg+icAkBYJANAtGwBAeicAIOoYAADjCAAgiAcA8LwlADA9AQAA/hAAMH8PAADzFgBAmxUAAPQBAOAEBwBAsxEA4GMMAODODwBApxMA

atoms_y:
iL4OAICEHgAAAAAAyEcdAFimEACo1A8A8DgiAJDVFwDg6RcAUKoZAMDlEwCgwAgAkKEPADB+CwBgBg0AkHf9/8CXOQAgaiUAYG42AECi//+gkv//4KUBACB7NwCAYCQAQEcjAGBBMQBAyTcA

atoms_z:
IEQyAAAAAAAAAAAAMCQuACg2JACYFxQAYJo3APBCMQAgXSMAEO4VAEA3LgBwvCMAoH8XAHA4BwDw8hwAwEENAPDWEAAgAzIA4PI7AECmKABgNTMAoIsVAGB+EgBgZSsAICIxAKCzOAAgMAUA

qdat:
AAAAAAAAAACAABAIAQAABICAAQECAICAQEMgRABCAGlAEMgQRjSKBkhIkQOcIaKgTajAl7cWIVN6hKZtz+i53q5Vxe+j9W85b7X7e3T/fvvm+3/znN/dL8//3L/dfX/8+t//8rZ4u3/+X/uevna7/7vv3dP/f37//Xfu/x==


formula: Pt.9 Cu1.1 Ho2 Ba2 O8
compound: <missing>
pub_title: Structure of Ho2Ba2Cu1+xPt1-xO8(x=0.1)
formula_title: Ho2Ba2Cu1.1Pt0.9O8
a: 10.303
b: 5.668
c: 13.178
alpha: 90
beta: 90
gamma: 90
cell_volume: 769.561
crystal_density: 8.441
atoms_sites: ["Pt", "Cu", "Ho1", "Ho2", "Ba1", "Ba2", "Cu", "O1", "O2", "O3", "O4", "O5"]
atoms_x: kIYgAJCGIADgmDEAYBg8ACAnEwBwICQAwGEQAMA4GwCA0SYAYKw0AMDNFwAgzykA
atoms_y: QEIPAEBCDwBAQg8AQEIPAEBCDwBAQg8AQEIPAAB9AACAPgAAoJL//0BCDwBAQg8A
atoms_z: ELUSABC1EgCg1hUAcIojAOBsMADgPSMAAOkgAEBODQCgfxcAIBceAEAGGQBgogwA
atoms_occupancy: gO42AIAaBgAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0A
atoms_u_iso: KEsAAChLAADYcgAAyG4AAECmAAAgsgAAoIIAAAjAAAA4rgAAKLQAAIjlAACIkAAA
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAABAABAABAYBEAABIECAQPAIIAMiSwSkxDi4AbPBWHRMD0/Um1o0yvfei1z7Farl+/Lq9X8e9v/zrb8u+3f+v/7e377//fV//9+/7r37+7zfe/3ba/e/nv//u97/5/3P+fZ88zmuVZe/r+7/Vq2T7V/6St3V==


formula: (Rb2.74 N2.26) Fe3 S6 O32 H14
compound: <missing>
formula_title: Rb2.74(NH4)2.26Fe3O(SO4)6.7H2O
a: 9.783
b: 9.586
c: 18.389
alpha: 95.30
beta: 93.19
gamma: 118.12
cell_volume: 1504.767
crystal_density: 2.542
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Structure of a triclinic rubidium ammonium
 triaqua-u3-oxo-hexa-u-sulfato-triferrate(III)
 tetrahydrate, Rb2.74(NH4)2.26Fe3O(SO4)6.7H2O
 Note: x-coordinate of Wat26 changed by the author, March 2013

atoms_sites:
["RbA1", "NHA1", "RbA2", "NHA2", "RbA3", "NHA3", "RbA4", "NHA4", "RbA5", "NHA5", "Fe1", "Fe2", "Fe3", "S1", "S2", "S3", "S4", "S5", "S6", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "O11", "O12", "O13", "O14", "O15", "O16", "O17", "O18", "O19", "O20", "O21", "O22", "O23", "O24", "O25", "Wat26", "Wat27", "Wat28", "Wat29", "Wat30", "Wat31", "Wat32"]

atoms_x:

atoms_y:

atoms_z:

atoms_occupancy:

atoms_u_iso:

qdat:
AAAAABAAAAAEUAkAAKQAAITgEiIKRQAEfGkJSG6TKAeqmb0iR59VJePu9lvHepm9f7avu97WZ+d/r5fX1+eL9+vN+/938/tv6397vU/Vf67fuv/9///evt/9v//f+9////+/36/6v359/j23vtTf3vv2+/+n3+v/u37af6==


formula: Ag.616 Nb S2
compound: <missing>
pub_title: Structure of Ag0.6NbS2
formula_title: Ag0.6NbS2
a: 3.354
b: 3.354
c: 14.431
alpha: 90
beta: 90
gamma: 120
cell_volume: 140.590
crystal_density: 5.279
atoms_sites: ["Ag", "Nb", "S"]
atoms_x: VVgUAFVYFACrsCgA
atoms_y: q7AoAKuwKABVWBQA
atoms_z: kE0dAEBCDwDItggA
atoms_occupancy: gMwSAAAJPQAACT0A
atoms_u_iso: 0
atoms_aniso_label: ["Ag", "Nb", "S"]
atoms_aniso_u11: oP0CAHBJAAAAfQAA
atoms_aniso_u22: oP0CAHBJAAAAfQAA
atoms_aniso_u33: kH4AAKBzAACQfgAA
atoms_aniso_u12: QPsFAOCSAAAA+gAA
atoms_aniso_u13: AAAAAAAAAAAAAAAA
atoms_aniso_u23: AAAAAAAAAAAAAAAA
qdat:
AAAAAAAAAAAAAAEAAAAAAAAAAAAAAgAAAAAAhABAAAQEAAIAAAAQAAAAEAgAAAMAQAAAJAAAWECIQCAACgAAQIAAQAAAEAAKEJACAAoABAAAwQACgAACCAABAACABCAAQA5BIQBAARAEAAIAIlAQDACABAAEAZKBAMAgAR==


formula: Sr I2 O7 H2
compound: <missing>
pub_title: Structural instability of the water molecule in Sr(IO3)2.H2O, a neutron diffraction study
formula_title: Sr(IO3)2.H2O
a: 8.9003
b: 7.748
c: 9.6496
alpha: 90
beta: 90.230
gamma: 90
cell_volume: 665.427
crystal_density: 4.546
atoms_sites: ["Sr", "I", "O1", "O2", "O3", "O4", "H"]
atoms_x: AAAAAEAjEABAIAQAwP0PADCSEAAAAAAA4CkFAA==
atoms_y: sOsYABAlEQCwhhQAoFUFAAA7CwAAFAUAUA4BAA==
atoms_z: QEIPAOAqIgDAciIAq7AoAODpFwBAQg8AoLsNAA==
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: ["Sr", "I", "O1", "O2", "O3", "O4", "H"]
atoms_aniso_u11: kBQBAACvAADg3QAAMD0BABBTAQBw+AAAcPIBAA==
atoms_aniso_u22: wAwBALDMAADQZQEAYDUBACDeAQCgVAEA0KoCAA==
atoms_aniso_u33: kJEBAFDDAADg1wEAkHgBAAD6AADQFQYA4IADAA==
atoms_aniso_u12: AAAAAEAGAADgLgAAoCgAADARAAAAAAAAcJQAAA==
atoms_aniso_u13: cJQAAIAlAAAgNQAAwHYAALAdAADgLgAA0DkAAA==
atoms_aniso_u23: AAAAAIAMAABgIgAAgHAAAPBVAAAAAAAAEIsAAA==
qdat:
AAAAAAAAAAAAAAAAAAgAAiAEAAAgQQAAgACBAVAIAA4GAAAkEEgQgKpYISsguIB4QQQMDeEGsQuq3iTIWZEm3wJ9CnsjsW7s73FapucJ9g3e/zrf3e6+0zVK386N+/X8u3x7fqx+P7OwfulfH3X/Mn8B/7gi9MKZ7a/YGV==


formula: Mg2 Pt Si
compound: <missing>
pub_title: Dimagnesium platinum silicon
formula_title: Mg2PtSi
a: 4.254
b: 4.254
c: 8.542
alpha: 90
beta: 90
gamma: 120
cell_volume: 133.871
crystal_density: 6.742
atoms_sites: ["Mg", "Pt", "Si"]
atoms_x: VVgUAFVYFAAAAAAA
atoms_y: q7AoAKuwKAAAAAAA
atoms_z: YEojAEBCDwBAQg8A
atoms_occupancy: 0
atoms_u_iso: wFECANCEAADgKAEA
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAAAAAAAAAEAAAEAAgAAAAAEAAAAAAAAEAAwAAAAAgDAQAABAAAAAGAEAAAEAwQABQAAACAIAAGBEAAgAAAgsAAEkwAYAAAhgACK4AIAAMAADFUBYAAQoAUOAYAAIwABWBYACCAKbAIABCAI2BwAMgAj==


formula: Er V O4
compound: <missing>
pub_title: ErVO4-II, a scheelite-type high-pressure modification of erbium orthovanadate
formula_title: ErVO4
a: 5.003
b: 5.003
c: 11.143
alpha: 90
beta: 90
gamma: 90
cell_volume: 278.909
crystal_density: 6.720
atoms_sites: ["Er", "V", "O"]
atoms_x: AAAAAAAAAABA6QgA
atoms_y: QEIPAEBCDwCg0h4A
atoms_z: oCUmACChBwBgiQwA
atoms_occupancy: 0
atoms_u_iso: 4C4AALA2AACwTwAA
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAwACAAABAAAAABAAAEAACAQAAQAAAGAAIABgQAAAAQgAEAGAACAAhwAgBhACACCAUARAAAA4AAMAAAEYCgQAEAjAQGQCACAIMQIAMCAiAARAwYAAJAgYBATBgiAAMEEAABgB==


formula: As3 Na3 O10 H2
compound: <missing>
pub_title: Structure d'un triarseniate: Na3H2As3O10
formula_title: Na3H2As3O10
a: 10.860
b: 9.323
c: 18.270
alpha: 90
beta: 103.00
gamma: 90
cell_volume: 1802.387
crystal_density: 3.359
atoms_occupancy: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
atoms_sites:
["As1", "As2", "As3", "Na1", "Na2", "Na3", "Na4", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "H1", "H2"]

atoms_x:
4K0IAOATEQCwMBoA0IAJAFC9MwAAAAAAAAAAAABHCQBAHwAAwE0LANDZDwCAQxQAQGYJAEC7GADg3yEAwOsSAKDeHABA7wcAwAIkAA==

atoms_y:
kL8KAMDaAABgfAoAkJYVAIDtAADwowwAoFoyAMBXAQAgDAsAgEkTACCVCQDgXvj/IE4AACCtBQAAZQQAAMQJAOCwFABAK/7/gIsIAA==

atoms_z:
wCAGABD/DgAwSRgAgKIZAHDuIwBAQg8AQEIPABAVAwAgVgcAcJsDACAMCwBA0QwAcC4RACDcEgAA2xoAENAaALCNFwDARQQAAEwdAA==

atoms_u_iso:
gO0AAIDjAACI5QAA4CgBAAgVAQCQPAEAULMBAOAoAQCQPAEACBUBAPjFAADgKAEAaFABAAgVAQCA7QAAMAEBAOAoAQAAEnoAABJ6AA==

qdat:
AAAAAAAAAAABAAAgBAABIAEUBYAAECgKEFg4wiAEKBAOQtVyoUqM4CMxI8DNMwn0l9R/+P9u1Htv8t3+u3+v7rD/g9r6tb8y/D/u19Pt/5v/75v6f6tfgPfz37l3fl33lnor4LRqiroER0nBIESAEyDCgMDgJABAAgAIAA==


formula: Sn Mo5 O8
compound: <missing>
pub_title: Structure of SnMo5O8 containing bioctahedral Mo10 clusters
formula_title: SnMo5O8
a: 7.533
b: 9.268
c: 9.970
alpha: 90
beta: 109.73
gamma: 90
cell_volume: 655.201
crystal_density: 7.364
atoms_sites: ["Sn", "Mo1", "Mo2", "Mo3", "Mo4", "Mo5", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8"]
atoms_x: CEwQAFhGJQBIXxcA+M8KAChqMQB4+///IIYYAHBJAACAEv//EEYYAHDSMAAAZwwAoJUkACClFwA=
atoms_y: 4KofAND/+P9I2Pj/AJT4/0gG+P8giPj/sE8AALDb8f9AOAAAUFvw/xC58P+AnvD/UCPx/1D7//8=
atoms_z: 2NUfAPhxHQBImCkA4HEXAGgmEgAwuyMAIN4zAKDMOABgZA4AoCIBAFBOBwAQbw0A8FUyAMBiFAA=
atoms_occupancy: 0
atoms_u_iso: iOUAANgsAADAKwAAUCgAANAlAADYJwAASEkAAChLAAAAXwAASEkAAPhmAAAoVQAAKFUAABhbAAA=
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAABBAACAAAKAQwAgAECjCAAKCwQAqCKAqymGSCsEBQ2B4yIhaqYeLKJlWLj56XbiWy51v9VZ17mzXp/u12Lenpu/r2b/0v91/z+/Xt83rv7u//1/b79/93///uf8b9Kvfc37//v7+/vV7///f33/P61v2D==


formula: Cu Ca P2 O7
compound: <missing>
pub_title: CaCuP2O7: a structure closely related to alpha-Ca2P2O7
formula_title: CaCuP2O7
a: 5.2104
b: 8.0574
c: 12.344
alpha: 90
beta: 91.356
gamma: 90
cell_volume: 518.084
crystal_density: 3.559
atoms_sites: ["Cu", "Ca", "P1", "P2", "O1", "O2", "O3", "O4", "O5", "O6", "O7"]
atoms_x: cLQwAOCQEQCw6i0AwAQTAABVKADA0ScAgEY5ABCjLgAw+RwAQPsFAMD2DAA=
atoms_y: kJQIACCzEwAAOiAAQFQMAEBpFQAwSRgA8F0HADCDBgAgvwIAoF8UADBlCwA=
atoms_z: uLkGAOjeEAB4DwoAUA88AGBpCQDQcRgAUDEQAPCtGwCQ4BEAMMccAPDmBQA=
atoms_occupancy: 0
atoms_u_iso: iGMAACCFAAA4TwAAIFMAAKCCAACwfAAAuH4AAJCIAABonAAAmIAAAICOAAA=
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAEAgAAQIAAgEiIECAgBAgIIQABQBuJpBETBRBymQjTnTJQNvkgfGpd6R9xHKaDemvj/38D13iX38nvPev3+71f8t/55v9/u8jP9+Pdvu/i3/Tf+q9Xv/59v2/O63f3vf7S+/+d/3vsP682Xu1ft6b5+f==


formula: Ta5 Ga2 Sn
compound: <missing>
pub_title: Structure of Ta5SnGa2
formula_title: Ta5SnGa2
a: 10.354
b: 10.354
c: 5.1795
alpha: 90
beta: 90
gamma: 90
cell_volume: 555.270
crystal_density: 13.911
atoms_sites: ["Ta1", "Ta2", "Ga", "Sn", "Ga"]
atoms_x: 4HoEAAAAAAAAAAAAoEYUAKBGFAA=
atoms_y: AHoNAICEHgAAAAAA4D0KAOA9CgA=
atoms_z: AAAAAEBCDwBAQg8AAAAAAAAAAAA=
atoms_occupancy: AAk9AAAJPQAACT0AgIQeAICEHgA=
atoms_u_iso: uH4AAIiGAADYcgAAmIAAAJiAAAA=
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAIAAAAAQAAAAAAACAIAgAAAAAAAECBAAQIAAEAEAAEAAQQgCAAAiEABAAhEBCACIgAgBkQIgBIgCAEmCABNgEASwSAWQCAEgoBKAwNISBpAgKQkC0ABKFAhAgRCgUAgREgqABQMGwIKiAKCBIoVACYoZB==


formula: V2 Ga Sn2
compound: <missing>
pub_title: Structure of V2Sn2Ga
formula_title: V2Sn2Ga
a: 6.7191
b: 18.798
c: 5.603
alpha: 90
beta: 90
gamma: 90
cell_volume: 707.691
crystal_density: 7.678
atoms_sites: ["V1", "V2", "Ga", "Sn1", "Sn2"]
atoms_x: wJYcAMDGLQDAxi0AQOwZAACqGQA=
atoms_y: qJ4EAAi8CQBwGwEAKMwGANiNDQA=
atoms_z: gIQeAEBCDwBAQg8AAAAAAICEHgA=
atoms_occupancy: 0
atoms_u_iso: kIgAALh+AABYogAAaJIAAHiMAAA=
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAQAAAAAAAAABIAAgAAAUAQAUAAAoogAACEECgAKIyAAkICAUVgMAILEY0hBAhiKUjCjAxgohCClqBiEQQCEUUgwNpZioE2iJQwZEZNTQ8RI5ECTVFBLZGDrwaNnCbhKbUlhmUGKNuSDXQUqaJT4UCcOR6WQM==


formula: Gd Si
compound: <missing>
pub_title: Structure of gadolinium monosilicide
formula_title: GdSi
a: 7.973
b: 3.858
c: 5.753
alpha: 90
beta: 90
gamma: 90
cell_volume: 176.961
crystal_density: 6.956
atoms_sites: ["Gd", "Si"]
atoms_x: cO4KADDIIAA=
atoms_y: QEIPAEBCDwA=
atoms_z: kIoXAFBDJgA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: ["Gd", "Si"]
atoms_aniso_u11: 8CMAAOBgAAA=
atoms_aniso_u22: 0GsAAHB7AAA=
atoms_aniso_u33: AGQAAHB7AAA=
atoms_aniso_u12: AAAAAAAAAAA=
atoms_aniso_u13: wPn//3AXAAA=
atoms_aniso_u23: AAAAAAAAAAA=
qdat:
AAAAAAAAAAAAAAAAAAAAAAEAAAIAAAAAiAAQIBCAAAgIBAAIAAAQECICQABQahIggIKIQEEADIglIKRBFIhNEMFUADRhqzEjAunyAVNEAiToOQ7a5YFUwssy6U7HahiPYY6o3oaortfkV7++jd7h2R53bNlmxUivqixYt3==


formula: Rb4 S4 O16 Li
compound: <missing>
pub_title: Structure and absolute chirality of Rb4LiH3(SO4)4 at 293 K
formula_title: Rb4LiH3(SO4)4
a: 7.615
b: 7.615
c: 29.458
alpha: 90
beta: 90
gamma: 90
cell_volume: 1708.217
crystal_density: 2.850
atoms_occupancy: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
atoms_sites:
["Rb1", "Rb2", "Rb3", "Rb4", "S1", "O11", "O12", "O13", "O14", "S2", "O21", "O22", "O23", "O24", "S3", "O31", "O32", "O33", "O34", "S4", "O41", "O42", "O43", "O44", "Li"]

atoms_x:
0O8DAEBKFgAwSyAAcNwNAMAyHABgGCMAoAIXAGB4EwCgPSIAMBEZACDQFAAAoA8AwCAfAEDiHgAQNAIAQGAKAEDvBwAgZvz/oLD6/0DWIACg/BcAoNgdAOBEJgCAxSgAYAcRAA==

atoms_y:
0Ag2AABwFwDwgzsAgFgdAFCZBwBgkA8AoMEMACCzBABAqP7/YHUHACBxDwCAtQEAQKL//8CSDAAwrf//gJcGAMCZ9v9gTwUAgNn7/1CPKgBgjyQAIJMzAMA9LwCA4yMAIAo1AA==

atoms_z:
wNIrADgGKwCYFwUAYH0EALh8DACguw0AIOAJAMA7DgBgXQsA2NkbALC0HQDwgRoAEEEdANCdGQCISgUAgA0EAACkBgDQcwcAoC8DAJhTFABwYRUAgLMSAGD8FgDg7hIAAIEQAA==

atoms_u_iso:
8DYBAIBRAQBgTgEAsDABAACvAACAOAEAoMEMAOClAQBAlgEAwMEAAEATAgCghgEAQBMCAMDOAgBguAAA4KUBAMDUAQBg5AEAYGcBACDLAABAlgEAgLUBAGDkAQCAtQEAYOoAAA==

qdat:
AAAAAAAAAAAAABQEAIAFCAUAQIIGNECmGBFEAkRkMZTGphUgUGaCyAk0zTNosnYWhUMhLaVkoY5LQpWZemXy5UY6fVHEPKikNPVeaeaURqRGtE39petKq3vaRil1/vZzlV22RGMfbVa77/uTqS7Z/3ZEYhVS71TKvpREID==


formula: Na4 Ge8.5 O20
compound: <missing>
pub_title: Refinement of the structure of sodium enneagermanate (Na4Ge9O20)
formula_title: Na4Ge9O20
a: 15.0263
b: 15.0263
c: 7.3971
alpha: 90
beta: 90
gamma: 90
cell_volume: 1670.189
crystal_density: 4.093
atoms_sites: ["Na", "Ge1", "Ge2", "Ge3", "O1", "O2", "O3", "O4", "O5"]
atoms_x: EEoFAAAAAADoVQgAANcFACCeBQDI4gQAmIQLABiHAQDoYwkA
atoms_y: sGUDAEBCDwA4zwIACEoNAJDvDADIjg0AYHgEAOjEAgCwngYA
atoms_z: eFUKACChBwCoyCoAwPQdAAD7DgBIgC0AMFc3AChPLgCY2h4A
atoms_occupancy: AAk9AICEHgAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0A
atoms_u_iso: 0I0BADhoAADgagAAyGQAAHCeAACwgQAAuKEAANCnAAAYnAAA
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAgBAAACAgAAAQABBAgQgAABACAEQhAgiUBIBMJICAAhTEoQwSIQKBYIAysWkRU6KwJUSRECZcsRCJJAkQzkCgUqYMU4grgDCFGYAawiKMQgmMBDEAwiIZCARiQjEQkUCAiYSEiIgJQQCJAgQESAAAIAAA==


formula: Lu U4 S5 O4
compound: <missing>
pub_title: Structure de l'oxysulfure d'uranium et de lutecium, (USO)4LuS
formula_title: (UOS)4LuS
a: 3.8014
b: 3.8014
c: 34.20
alpha: 90
beta: 90
gamma: 90
cell_volume: 494.212
crystal_density: 9.081
atoms_sites: ["Lu", "U1", "U2", "S1", "S2", "S3", "O"]
atoms_x: AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
atoms_y: AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAgIQeAA==
atoms_z: gIQeANDxBgCYzRIAAAAAANCaDQCA1BkAMD8JAA==
atoms_occupancy: 0
atoms_u_iso: uH4AAKh6AABYQwAAQGQBAOhiAAAgsgAAmIoAAA==
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAQAAAAAQAAAAAIAAAAAEAACAgCEAABAAAAkBAAgAAgAAEAAAAAUEAgAICIkAQAEAAAAAAAAAAxAgCCSgIAYggEAIAAAAAAKECAgAAAAAAZCBCsEBkIIBAAZECAgAAAAAAAAABkEGiECAAAAGRBAAAABxCBADiEEAZ==


formula: Ta Br4 P2 C16
compound: <missing>
pub_title: Structures of two polymorphs of cis-TaBr4(PhPMe2)2 Sample: 1
formula_title: TaBr4(PhPMe2)2
a: 8.493
b: 30.369
c: 8.898
alpha: 90
beta: 99.22
gamma: 90
cell_volume: 2265.356
crystal_density: 2.213
atoms_occupancy: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
atoms_sites:
["Ta", "Br1", "Br2", "Br3", "Br4", "P1", "P2", "C1", "C2", "C3", "C4", "C5", "C6", "C7", "C8", "C9", "C10", "C11", "C12", "C13", "C14", "C15", "C16"]

atoms_x:
IP7//0C/DwAgrAEAUOQHADAn9P8QBPH/4Lf+/yBn5/8gGfT/4C/r/wA34v/gg93/YKrh/wCE6v8gN+//wFECAKDlBgCAD/P/4I7w/6Cl5/8gDuH/gG/j/+Ap7P8=

atoms_y:
2IkHAAAACgBI4AQAgGwEACi5CgAgTwQAkPEKALDNBADQzwAAYDwEAACRBQBATAUAAOgDAECpAgAg8QIAMFMOAHAmCgCQhwsAgGYKAODsCgCwhAwAIJYNAMAoDQA=

atoms_z:
6HsPAHBhFQBwdh4AENEFAMBJFABQPAoAAEUBAIDYEAAggwwAoBv+/6At+/8AVPL/YOvr/wBs7v/Ak/f/YE8FAKA5+f+gM/r/oGnx/wD76/8gN+//QNL3/0Ax/f8=

atoms_u_iso:
gGkCANDaBACoQwUAmCwEAJg2BABAgQIAWMgCACBUBACI3QMA+IwCAGgrAwDYtQMA6BgEACBUBAB4egMAoEEFABgaBQBwZQIAkBcDAFCOAwAoogMAeHoDAAjwAgA=

qdat:
AAAAAABAAAAAMhIBQATBCoARR5g3HE8VEMmJ2f7To6/YNYtP/H3/zu41zuf3vS1/pf7+f2//ZNv///+/Xc9v/+/3/7++t////767/X///7///f3P/P9///X7v3//e///++///vXvv01+/63//Rn5T/vvrXckiE378rdIkA==


formula: Ta Br4 P2 C16
compound: <missing>
pub_title: Structures of two polymorphs of cis-TaBr4(PhPMe2)2 Sample: 2
formula_title: TaBr4(PhPMe2)2
a: 14.38
b: 19.17
c: 8.28
alpha: 90
beta: 90
gamma: 90
cell_volume: 2282.503
crystal_density: 2.196
atoms_occupancy: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
atoms_sites:
["Ta1", "Br1", "Br2", "Br3", "Br4", "P1", "P2", "C1", "C2", "C3", "C4", "C5", "C6", "C7", "C8", "C9", "C10", "C11", "C12", "C13", "C14", "C15", "C16"]

atoms_x:
MOECANBF/v9gmP3/kBn8/wAcDACQDwYA8PMHAMAhCgBAHwAAgH8KAGBDBwAAvgoAoKkQAACIEwBAPBAAwEsDAODsCgBAyw0AQNcLACDuDwDAXBUAYOMWAGD7EgA=

atoms_y:
sBYRAMBjGAAQMQ8AoO0NADDREgDwBgkAcLgTAOD+BwAAXwUA0KsGAJDKBACwVgMAsNMDAEDJBQBwUQcAAHYWAGCQDwDA5hcAwLUbACDfHgBA6B0AoPAZAOCkFgA=

atoms_z:
YNz6/4AR+/+AfwoA8MHu/0BeAgAgZvz/oGHq/2DABwAAj/3/oObx/6CT6v8gAuP/IH/j/yBP6//g//L/wBfi/+Di4v9gbuv/QIXv/+AR8P+gh+z/YIDo/+DE5/8=

atoms_u_iso:
0C0CAIDCAwCgrAMA8PIDACAjAwBQ6QIAwLUCAACEAwAwxwMAoBYDAPCnAwDgSAQAwJAEAJCxBACQ6QMAcP8DAFDQAgAgbgMAQNUDAOB6BACwmwQAEL4EANBTBAA=

qdat:
AAAAAAAAAAAgAAEGCAQAgBwAAZJEESQwRPQTEQkkwpxT633Z5qX//zq719/fe18f9317/b9X/3f7//t//t/35/+3/9efvvv/v1T9r/739/c+7+f7vN/5/r2+vu/nT/X79/ff+37e/9/+VCtaci5GEiDAKAgBAAAAAAAAAA==


formula: K4 O Br2
compound: <missing>
pub_title: Structure of K4OBr2
formula_title: K4OBr2
a: 5.145
b: 5.145
c: 16.527
alpha: 90
beta: 90
gamma: 120
cell_volume: 378.875
crystal_density: 2.912
atoms_sites: ["K1", "K2", "O", "Br"]
atoms_x: AAAAAAAAAAAAAAAAAAAAAA==
atoms_y: gIQeAAAAAAAAAAAAAAAAAA==
atoms_z: AAAAAJB6CQAAAAAAsJkVAA==
atoms_occupancy: 0
atoms_u_iso: EDQCAECQAgDAqAAAANsBAA==
atoms_aniso_label: ["K1", "K2", "O", "Br"]
atoms_aniso_u11: MGkCAAAgAwDAjwAAIPcBAA==
atoms_aniso_u22: EKQAAAAgAwDAjwAAIPcBAA==
atoms_aniso_u33: gJADAMBwAQDg3QAAAKkBAA==
atoms_aniso_u12: AAAAAAAAAAAAAAAAAAAAAA==
atoms_aniso_u13: AAAAAAAAAAAAAAAAAAAAAA==
atoms_aniso_u23: AAAAAAAAAAAAAAAAAAAAAA==
qdat:
AAAAAAAAAAAACAAAAAAAAAAAIIAAAAQAAAAAAAgECACAAAAgiASAAEACAAAAECEIAgAAARBAAgAIIIBAAEEIJKAAEBCABAhBAIBAAECQQBBRAIACQIAAEKAgADRAKiBAgAjEQIQAICAEIkAQIEVAgDQAAJMIAMAAIABINi==


formula: (Si3 Al) O9.25 Na H4.5
compound: <missing>
pub_title: Structure of synthetic zeolite Na-P2
formula_title: Na4Al4Si12O32.14H2O
a: 9.868
b: 10.082
c: 10.098
alpha: 90
beta: 90
gamma: 90
cell_volume: 1004.642
crystal_density: 1.896
atoms_x: kPAVAJDwFQCgoAoAoKAKAEDMEQBgQBQA0FsLAJBfAQDQghEAIL8CAAA1DACgG/7/QKL//4Dx9//gBAcAIHj5/w==
atoms_y: IMYFACDGBQAgxgUAIMYFADD4//9AQg8AQEIPAFDKAwCQngMAgBH7/8DGLQDAxi0AwEsDAMDGLQDAxi0AwMYtAA==
atoms_z: ENAVABDQFQCwMAYAsDAGALDTHABwaBgAIDwDAHDbCQAQJA0AAHwVAMB0EQCgSSAA4OUgAOAVGQDgYwwA4FcOAA==
atoms_occupancy: wMYtAEBCDwDAxi0AQEIPAAAJPQCAhB4AgIQeAAAJPQAACT0AgIQeAEBCDwBAQg8AgIQeAEBCDwBAQg8AQEIPAA==
atoms_u_iso: KLQAACi0AAAItgAACLYAANCDAQDQjQEAwIkBAEBkAQCAqwEA+EIGAAiSBgB40goAcOIHAHgwBwCoDAoAqAwKAA==
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
atoms_sites:
["SiT1", "AlT1", "SiT2", "AlT2", "O1", "O2", "O3", "O4", "O5", "Na1", "Wat1", "Wat2", "Wat3", "Wat4", "Wat5", "Wat6"]

qdat:
AAAAAAAAAAAAAADAAAQADQAKAFAAAKAUBEEgQCh4AEFq0qObJQAiLqog/hCLPXdy9rHpcj/CHvxq/5V7kd3zf26/z/G/p//3fX/+3nn/f9/93/////9z/9////f/7ff///6M97/bvbL35vt7Puj7PJeu+U0AQ6agggAqkQ==


formula: Si.795 Al.225 O2.611 Na.444 H1.222
compound: <missing>
pub_title: Structure of a high-silica variety of zeolite Na-P
formula_title: Na3.6Al3.6Si12.4O32.14H2O
a: 9.9989
b: 9.9989
c: 10.0697
alpha: 90
beta: 90
gamma: 90
cell_volume: 1006.749
crystal_density: 1.077
atoms_sites: ["SiT1", "AlT1", "O1", "O2", "Na1", "Wat1", "Wat2", "Wat3", "Wat4"]
atoms_x: kH8JAJB/CQAAAAAAQEIPAKD3AwAAAAAAoEX3/wAAAADAh/n/
atoms_y: WEckAFhHJABQvyIA4K0hAICoGABA4h4AQEIPAEBCDwBAQg8A
atoms_z: IKEHACChBwCQQgoAQEIPAMDZFQBA1iAAwIAPAGCnIACg/BcA
atoms_occupancy: 8EIYANDdBgCAhB4AgIQeAPDHBgDwxwYA8McGADBjAwAwYwMA
atoms_u_iso: uL8AALi/AABYtQEAkAQCALi5BgDougcA4IAIAKgMCgCwRgkA
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAABAAAAAAgAAAGAAACAABQAAAAAwADAAIAFAAgAgAoAAAoAwCgDAcAQFAACgIFgMHgQKAA8RDRYMJDwAsWRFHwS4BUUuRrJSAXAHLWCeAsVg3yTAKK0C4lAsBiXIkDgIZIABJEBxQBQAABAAAhOAAAAAAA==


formula: Si Na3 O5 H3
compound: <missing>
pub_title: Structure of trisodium hydrogenorthosilicate monohydrate
formula_title: Na3HSiO4.H2O
a: 7.898
b: 5.960
c: 11.142
alpha: 90
beta: 105.57
gamma: 90
cell_volume: 505.230
crystal_density: 2.367
atoms_sites: ["Si", "Na1", "Na2", "Na3", "O1", "O2", "O3", "O4", "O5", "H11", "H51", "H52"]
atoms_x: MCgqAEBCDwBgWhgAwKQ7AGDrHQDg9S4AIG0xAPB4KACwggQAoMAhAGDw//9guggA
atoms_y: 8LwMAGCfAABwvhIAEB3x/zCSEACg1wAA8IEaAHBLCABwLxUAYCM2AMBKGABAcRwA
atoms_z: cEIWAOBlFACwliIA8MwaACBaFwDASxwAoOMXAGBqDQDQBREAgIUJAIBJEwAgZREA
atoms_occupancy: 0
atoms_u_iso: yHgAAFD1AAAwAQEAYO8AAKjZAAAYsAAAILIAAAjAAADQJAEAMAEBAPjFAABIngAA
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAABAAAAAEQAIAABKEAAAAiAQQUDAjQKBATCAQ0AwDEWUg5pEcY8AWlOqgZcM7Lww8VsrJ4UbKWGLFO98d3JXm8z/Q/3dbXvPW//zv0/vH7226/6vd9/+27z/+/77b/bf8Xvvb///P9zf3/7/08//fvzT/v/==


formula: Mo1.5 Al.5 K P4 O14
compound: <missing>
pub_title: K2Mo3AlP8O28: a tunnel structure isotypic with Na0.5MoP2O7
formula_title: K2Mo3AlP8O28
a: 4.8171
b: 7.133
c: 7.998
alpha: 90.53
beta: 92.95
gamma: 105.18
cell_volume: 264.800
crystal_density: 3.414
atoms_sites: ["Mo1", "Mo", "Al", "K", "P1", "P2", "O1", "O2", "O3", "O4", "O5", "O6", "O7"]
atoms_x: AAAAAICEHgCAhB4AAAAAAFDW6P+Q+wAAQGf0/8C8BQAAdhYA4HUJAMD3EAAANCEA4Pnz/w==
atoms_y: AAAAAICEHgCAhB4AAAAAAJDADgCAtej/wDkGAGC78/8AuAsAYGwVAMCRIQCA3g8AQHcbAA==
atoms_z: AAAAAICEHgCAhB4AgIQeAJDrCwBAdA8AQFoLAKBWCQBgVQQAIHAkAKCdEgBg4xYAQGwIAA==
atoms_occupancy: AAk9AICEHgCAhB4AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AA==
atoms_u_iso: CMAAAJiAAACYgAAA+IwCAJiAAACYgAAASJ4AAIDtAAAgsgAA+MUAACCyAAD4xQAAmIoAAA==
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAQAQAAAAIAEAAASAAAOAAGAEAAAICQMAAyEDAAJoEWAggAxQDslAAEJKAicQxSwpQEqSVzIhBlOBgLUr/EBdZpUXP7XHVQPeMdKJjKcn0rudc+vk6XY9/lK8ejVM6zEPf+9fu/P/U4Rf/7w5z/7+vuefl3==


formula: Na Ca1.88 Sr.12 Si5 Al5 O26 H12
compound: <missing>
pub_title: Thomsonite, a neutron diffraction study at 13 K Sample: T = 13 K
formula_title: <missing>
a: 13.1043
b: 13.0569
c: 13.2463
alpha: 90
beta: 90
gamma: 90
cell_volume: 2266.462
crystal_density: 2.380
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
atoms_sites:
["Na", "Ca", "Ca", "Sr", "Si1", "Al1", "Si2", "Al2", "Si3", "Al3", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "OW1", "OW2", "OW3", "OW4", "H1", "H2", "H3", "H4", "H5", "H6"]

atoms_x:
kI8DAJCPAwBgdx4AYHceAEBCDwBAQg8A8OUGAOBKBwDw2RIAoO0SADhUCgAQrwkAqCYTAMgaEwBwIQAAWDgLACifCwBgXQYA+DcHAHDKFQDgswcAYMkXAAAAAAAAAAAAcK4JANiRCQBohhYAeJ4WAMjaAgC4EgMA

atoms_y:
GL8eABi/HgDA+hwAwPocAEBCDwDAxi0A6GUqAAizEgAgfRcA6BQmADAIEwD4IyoAADIUANgiKADQ2yYAsGUmAIiDFwBAmDEAAAkLAAh6HgB4oB4AWGEeAEizJwAYABUAMLAaAEAlIgB4uBoAgOohABg7KgCgcBIA

atoms_z:
IPwVACD8FQA4dx4AOHceAED/KQAoISoAeIceAKhDHgC4CBcAiDMXAHi3JQBofCUAOCYuALiHLgAwmB4AmNAZAGhbGQDgJhwASKEbAMBfFwCQjAsAIPUmAMDGLQDAxi0AMFwoAAhXKACATCkAQIwpAOiCKwDI1CsA

atoms_occupancy:
gIQeAICEHgAA2xoAgKkDAAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0A

atoms_u_iso:
yG4AAMhuAADYaAAA2GgAAJApAACYKwAAaDMAAHgtAACIMQAAaDMAAChVAAAoVQAAKFUAAAhXAAAIVwAA8GQAAABfAAAYWwAA6GIAAChLAAAgsgAAWJgAAGDvAADY0QAAQFoBABBsAQDQgwEA4H0BACDPAQCg9AEA

qdat:
AAAAAAAAAAAYABABgBAEAAGBg4MCBDgChjjPOMBQvWB7Au99z4m/c/YV///vd8vw///V///P//7/9/f/////5//v+//v///0+//9f//73c3+/vMz/2b78+AN3QKALigAA2AAACAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAA==


formula: Zn K2 Si4 O10
compound: <missing>
pub_title: Structure of synthetic dipotassium zinc tetrasilicate
formula_title: K2ZnSi4O10
a: 10.0673
b: 14.047
c: 7.0673
alpha: 90
beta: 90
gamma: 90
cell_volume: 999.425
crystal_density: 2.764
atoms_x: 4M0LAFDnEwAQRhgAEHMdAFDwBQCQ3BoAkBkVAJCYBABwcQoAMHwcAMBdAAAw1g0AAEQWAGA7AADAxAwA4PABAMARFQA=
atoms_y: EKMVAOBmGACgMAcA8LkZADDWDQBwDAYAkBoyAMA6PABgoSEA0NY1AACrCQCQUBAAsBczAGBzMQDQcjUAsP4ZAIBoKwA=
atoms_z: YAMBAOAjHwAwIQ4AoCQ7ADDkEwCAxiwAYGQOAMDCBACQ6RwA0AwUAJCgCwDw6A0AoIwAACCOBgDQlRIA8JsFAJBKEQA=
atoms_occupancy: 0
atoms_u_iso: kIgAALCZAQBorwEAyHgAAKCCAAC4fgAAwHYAAKjZAABg+QAAqNkAAIBMAQAAEwEAQAUBAGDvAABABQEAILIAAJjfAAA=
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
atoms_sites:
["Zn", "K1", "K2", "Si1", "Si2", "Si3", "Si4", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10"]

qdat:
AAAAAAAAAAAAAABAAAAEBgQEACCABHEIIYhIYiEYAWuqTWLQ2OB2oenRclW7bfr1VDL7L9/Hrs+/76/3+//W/f/9av/6/z//99/u2/6t/6/3///3/7/f+9/3/f//ur+///+9X/7frz7//t9P/nW/27p9+d/n33vT/vd+m3==


formula: La S O
compound: <missing>
pub_title: Room-temperature structure of La2O2S2
formula_title: La2O2S2
a: 13.215
b: 5.943
c: 5.938
alpha: 90
beta: 90
gamma: 90
cell_volume: 466.351
crystal_density: 5.326
atoms_sites: ["La", "S", "O"]
atoms_x: ALQUAAAAAABAQg8A
atoms_y: AAAAAGDjFgDg7Q4A
atoms_z: AAAAALDeFgBAQg8A
atoms_occupancy: 0
atoms_u_iso: OE8AAIiQAADobAAA
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAABAAAAAAAAAAQAAAACAAEAAACEQAEAAAhMABCAIAABIAAwHBAMgEABtAEgOQLUEIHYKEBAKwDAUFcMgyB0OBQCQ1B4SHx0KBcFHY7JhIWKDQMaHxBo9MHgQMUCPDUCg58y2eSGHDNFnlGiBCnxFPHIWG==


formula: Cu P2 O6 H4
compound: <missing>
pub_title: Structure de Cu(HPO3H)2
formula_title: Cu(HPO3H)2
a: 7.4748
b: 9.9406
c: 7.5175
alpha: 90
beta: 99.722
gamma: 90
cell_volume: 550.558
crystal_density: 2.721
atoms_sites: ["Cu", "P1", "P2", "O11", "O12", "O13", "O21", "O22", "O23", "H11", "H22", "H1", "H2"]
atoms_x: cNsiAKDUDQDQbxAAUBoYABBKDwBgEgsAkLoPADBkBwBAGgUAwD8FAMBcFQBgsx4AAL4KAA==
atoms_y: CIkZALBHEgBQchoAUJ0XADCXCwCwDg8A0PsBALB3PABARBcAgLQWACBZEwCAJgQA4OwKAA==
atoms_z: CEsqAPBDHACQAzoAkOkcALDVJACAQhAAABQ3ACA+CwDA7TMA4P0cACDLAADAJTMAQDwQAA==
atoms_occupancy: 0
atoms_u_iso: QHIHAOB7CACAAgoAYDcJACCJCwCANxYAIAwLAODmCwDg9x0AABJ6AAASegAAUwcAgDgBAA==
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAQAACAAAgAAQMAAMAYAACCIAAIDAAeLGAYMYADGBSkhnlBBuFGcZhBHcYHXIB20b/D+N0KXR/n9d4H0tR/XeL896W771p+en/+Z/X+/vN1O3f/vu/X/t3/3/vz+/3v1e//r/17///v2/7/73Pb+3/5x//==


formula: (Mo Nb) K.75 P3 O12
compound: <missing>
pub_title: Non-stoichiometry in the KMo2P3O12-tunnel structure: the oxide K0.75MoNbP3O12
formula_title: K0.75MoNbP3O12
a: 8.8518
b: 9.1453
c: 12.5174
alpha: 90
beta: 90
gamma: 90
cell_volume: 1013.313
crystal_density: 3.298
atoms_sites: ["Mo", "Nb", "K", "P1", "P2", "O1", "O2", "O3", "O4", "O5", "O6", "O7"]
atoms_x: mBIPAJgSDwAwmfX/YD3+/9iRGADoiAwAaMcHALhnEgAgFBcAUE8aANj7AwBYdBUA
atoms_y: EJQBABCUAQAItwkAQEIPAIBuFgCI+QAAMHr2/wBxAgDgiwwAUM/5/2BfCQCgSxkA
atoms_z: WCQGAFgkBgBAQg8AAAAAAMgRCABAQg8AyGAEANgr/P+obgcAYHAHAEh3BABAQg8A
atoms_occupancy: gIQeAICEHgDAxi0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0A
atoms_u_iso: iIYAAIiGAAA4+wMAkIgAAGiSAABg7wAAoEABAOAeAQC4MgEAkEYBAOggAQDIzQAA
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAABAAAAGAEAEABGIBISIgiQAkgEooQQlqMgQlEqjYQEVVRcqIs2pEtWyLJ5263n7Zf53rvd797b1e7fdv777frvX/V36pv3+/3+q+/veev3f7/f/2nf////99t+2/9vv/bm3t//e+TtX3uH47Mr/ZLLaFLk3G==


formula: Ba Cu2 Si2 O7
compound: <missing>
pub_title: Structure of barium copper pyrosilicate at 300 K
formula_title: <missing>
a: 6.866
b: 13.190
c: 6.909
alpha: 90
beta: 90
gamma: 90
cell_volume: 625.697
crystal_density: 4.592
atoms_sites: ["Ba", "Cu", "Si", "O1", "O2", "O3", "O4"]
atoms_x: 4DT//3CRDQCAJQAAYOUFAKCD9f+wZ/z/QCgLAA==
atoms_y: QEIPAKBBAADALQgAQEIPAKAqCACQ1wYA0KQDAA==
atoms_z: IGk6AABwMAAQ3RwAwHcdANCBJgDwXw8AwJcgAA==
atoms_occupancy: 0
atoms_u_iso: kH4AAFBfAACwTwAAAH0AAJCXAAAwpwAAsGgAAA==
atoms_aniso_label: ["Ba", "Cu", "Si", "O1", "O2", "O3", "O4"]
atoms_aniso_u11: 8G4AAOB5AADgYAAA4GAAAACWAABwxgAAYJ8AAA==
atoms_aniso_u22: MI4AAABLAABgOwAAECcAAOB5AADwuQAA4EcAAA==
atoms_aniso_u33: AH0AAPBVAABAUQAA8OsAADCnAACgcwAAIE4AAA==
atoms_aniso_u12: AAAAABAOAABgCQAAAAAAAHD+//9wMAAA8AoAAA==
atoms_aniso_u13: gAwAAMDg///A+f//QB8AALBPAADgyv//gPP//w==
atoms_aniso_u23: AAAAAEDt///g/P//AAAAALDS//+Qtv//0CAAAA==
qdat:
AAAAAAAAAAAAAAABAQAAAEBAAACAQAMFgA5gAEKAAEEjgRUCzQmIYFBME2EDKkPsV0EveC8BzEqy+q3fRKc7i35P1b9390/1f+v791+9f6L3f3799u9l+9nr76/1/+/p//+/pv/v/V+t//9f//ae33tc///2fvvf///t/7==


formula: U Be13
compound: <missing>
formula_title: UBe13
a: 10.268
b: 10.268
c: 10.268
alpha: 90
beta: 90
gamma: 90
cell_volume: 1082.574
crystal_density: 4.359
atoms_sites: ["U", "Be1", "Be2"]
atoms_x: QEIPAAAAAAAAAAAA
atoms_y: QEIPAAAAAABwBgcA
atoms_z: QEIPAAAAAADQxQoA
atoms_occupancy: 0
atoms_u_iso: KEsAAMB2AAAAEnoA
atoms_aniso_label: ["Be2"]
atoms_aniso_u11: AH0AAA==
atoms_aniso_u22: gLsAAA==
atoms_aniso_u33: oIwAAA==
atoms_aniso_u12: AAAAAA==
atoms_aniso_u13: AAAAAA==
atoms_aniso_u23: INH//w==
pub_title:
 Structure of the heavy-fermion superconductor UBe13
 Note: x-coordinate of U altered from reported value.

qdat:
AAAAAAAAAAAAAAAAAAAAIAAAAAAABAAAAAAIAAAABAAAACAAAAgAAAAAACAAIQAAEAACAACAAEAAIAIAAEAAQAEAIgAQBEACAIAAgAgAgEgAAJACAAAICQAgSAIAACAgAACAQCAABAAAAIAAICAAABAAAAgACAAAAAAAAB==


formula: Ni Br2 O14 H12
compound: <missing>
pub_title: Structure of nickel(II) perbromate hexahydrate at 296K
formula_title: Ni(BrO4)2.6H2O
a: 7.874
b: 7.874
c: 5.423
alpha: 90
beta: 90
gamma: 120
cell_volume: 291.180
crystal_density: 2.592
atoms_sites: ["Ni", "Br", "O1", "O2", "O3", "H1", "H2"]
atoms_x: AAAAAFVYFABVWBQAOLQOAEhJGQCQrhEAcBwUAA==
atoms_y: AAAAAKuwKACrsCgA8OsFABhAIACQ5QwAECgEAA==
atoms_z: gIQeAODsCgAo7TUAkNcQAHAfEQDg1A4AYOgRAA==
atoms_occupancy: 0
atoms_u_iso: QBkBAIA4AQBAEwIA4CICAKCAAgBAAQUAIK0FAA==
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAIAAAIAAAACACAAACABAAAIACACEAAAghAAIgAAQAIiAiAwEACIGAkACJACggABYDRYSQUEEgKGBgQQFQpUBCByYUIFAIlRxSo0QURxMBFwVRcKqxVJiAUK1J9mBesDVjGs51FtJJMcllVRusjNVlO4z==


formula: As8 Fe3 Na6.96 O28
compound: <missing>
pub_title: Structure of the sodium ion conductor Na7Fe3(As2O7)4
formula_title: Na7Fe3(As2O7)4
a: 9.940
b: 8.5483
c: 28.762
alpha: 90
beta: 93.683
gamma: 90
cell_volume: 2438.863
crystal_density: 3.745
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
atoms_sites:
["As1", "As2", "As3", "As4", "Fe1", "Fe2", "Na1", "Na2", "Na2*", "Na3", "Na3*", "Na4", "Na4*", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "O11", "O12", "O13", "O14"]

atoms_x:
AE0SAChrDQAoMR8ACCoZAAAAAAAYYRMAcPwQADDOHwDg/RwAgIQeACALIABQDBIA4LAUAODWFgDwHBYAkAMIAOAaFACA2wMAsHgOAHDKEABAIB0AAE8pAJCRGgBwPRsAkOcUABAjIgDg1RIA

atoms_y:
KAcSAMDgCQDQcCgAAJMwACBWBwAwozsAAD4XABDVFQAAcBcAgAYBAKCnOgBwzyQAYOIrAGCDDQDgThwAIEYSAODACQBwUQcAMHoUABBAAADgpTMA4PMmAMBMIACwXycAoK05AMAMMwDQlSsA

atoms_z:
wA0PAMivFACIBxsAqLkgAEBCDwAApBoAEDQbABC8FQDwCRUAQEIPAGDiEgDQHxUAYGwVALBSDABQYxAAkI4OAODbEQBAXBMAoCEWAKCFFgDg9hkAQKkbAEAGGQBgaB4AANweAKBvIgCg7CIA

atoms_occupancy:
AAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAC2NQAAxAkAAJ8kAAA1DADAcyYAwOsSAAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0A

atoms_u_iso:
aIMAAGCBAABAZQAAEF4AANhyAADYaAAAkDwBABAqAgDIiwEA6D0CAADbAQC4AwMAWMgCAEj9AACw2wAA+LsAACi0AACI5QAAcEgBAFj3AADYxwAAWKIAANjHAAAYsAAAaJwAAAC+AABYogAA

qdat:
AAAAAAAIAAAAAACASAgBARRAFEFBEQFILEsYsRUlk0yKsEYgH9TaNu3bpmYiIdeY65y160fNql42O1R4v8/rX9PZ2a9t7a8F27/WP/c/Pn/2q2bp977X/87fOqPt77FV3/7bX3rMghqkQhCCsmbMpysVCEEAAAAAADUkiE==


formula: Pb V6 O15
compound: <missing>
pub_title: Die Struktur der eindimensional fehlgeordneten blei-vanadiumbronze, Beta-Pb0.333V2O5
formula_title: Pb0.333V2O5
a: 15.463
b: 3.6477
c: 10.116
alpha: 90
beta: 109.20
gamma: 90
cell_volume: 538.849
crystal_density: 4.640
atoms_sites: ["Pb", "V1", "V2", "V3", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8"]
atoms_x: 6EQAAPh1FAAIKAcAcFsRAAAAAACAqDEAsLAmAHCOGgDAFhAAgLAGAADYDgAgCRgA
atoms_y: AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA
atoms_z: KAsYAKj8BQDACwcAcOoYAAAAAADwEQMAoL8EAJAwDQAQiA0AIIQQAHANIwBAvBwA
atoms_occupancy: gIQeAAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0A
atoms_u_iso: kPYAABhWAABYhAAAwGIAAAgRAABAgwAAwHYAAFDcAACQfgAAsMwAAJCXAAAA4QAA
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAgAAIAAAAACAgAAAAACDAAJAgBAAQEgEAhAEgBABMAAQJCANERAlQgaBSFACjSIASgtAAohUlBOAIORKJVgeKdAgm2HUiERUEikjoMQA1ZiwvmhnjBpIgx6OqAKopMiVQGhOIS9SWRgcJujCiggGCzkBTAgR==


formula: V4 K O10
compound: <missing>
pub_title: Structure of K0.5V2O5
formula_title: K0.5V2O5
a: 3.6784
b: 11.6120
c: 18.6332
alpha: 90
beta: 90
gamma: 90
cell_volume: 795.891
crystal_density: 3.362
atoms_sites: ["V1", "V2", "K", "O1", "O2", "O3", "O4", "O5"]
atoms_x: AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA=
atoms_y: UIEaAJifLAAA4gQAIHYjAPCUGwCQdisAUM0PAFDdNgA=
atoms_z: kLAZAFClGQBAQg8AYN4CADB6FADwcxQA0PsaADD5AwA=
atoms_occupancy: 0
atoms_u_iso: yHgAAKiEAAB4qQEAUKAAAAAdAQBQ9QAAGLAAAKCCAAA=
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAQAAAAAAhAAIEACAAABBIBAKIAkJQLBgGIAyAAMIABAK8KyjiipwwTgA5qOOYsdkSKAstKoi0IQnyHR1dWslGCexoTrALIJCfWkhIHALENkHqm2VGBQBUy4SEAwBBJCBggIAmSorSjBecqgdEHyKQMEAQDyM==


formula: W15 Nb3 P2 Na7 O83 N2 C4
compound: <missing>
formula_title: Na9[P2W15Nb3O62].2C2H3N.23H2O
a: 13.341
b: 15.890
c: 21.395
alpha: 87.85
beta: 77.18
gamma: 71.87
cell_volume: 4200.438
crystal_density: 3.687
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Structure of nonasodium alpha-triniobatopentadecawolframatodiphosphate-
 acetonitrile-water(1/2/23), Na9[P2W15Nb3O62].2CH3CN.23H2O

atoms_sites:
["W1", "Nb1", "W2", "Nb2", "W3", "Nb3", "W4", "W5", "W6", "W7", "W8", "W9", "W10", "W11", "W12", "W13", "W14", "W15", "Nb1", "W1", "Nb2", "W2", "Nb3", "W3", "P1", "P2", "Na1", "Na2", "Na3", "Na4", "Na5", "Na6", "Na7", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "O11", "O12", "O13", "O14", "O15", "O16", "O17", "O18", "O19", "O20", "O21", "O22", "O23", "O24", "O25", "O26", "O27", "O28", "O29", "O30", "O31", "O32", "O33", "O34", "O35", "O36", "O37", "O38", "O39", "O40", "O41", "O42", "O43", "O44", "O45", "O46", "O47", "O48", "O49", "O50", "O51", "O52", "O53", "O54", "O55", "O56", "O57", "O58", "O59", "O60", "O61", "O62", "O63", "O64", "O65", "O66", "O67", "O68", "O69", "O70", "O71", "O72", "O73", "O74", "O75", "O76", "O77", "O78", "O79", "O80", "O81", "O82", "O83", "N1", "N2", "C1", "C2", "C3", "C4"]

atoms_x:

atoms_y:

atoms_z:

atoms_occupancy:

atoms_u_iso:

qdat:
AAAAAgAgHSgCIBQlV6od1GJc7cfvvdT/u////9///+///3//+///f////////////////////////r////////v26B9KBgIAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==


formula: Rb Na S
compound: <missing>
pub_title: Structure of RbNaS
formula_title: RbNaS
a: 4.696
b: 4.696
c: 7.559
alpha: 90
beta: 90
gamma: 90
cell_volume: 166.694
crystal_density: 2.800
atoms_sites: ["Rb", "Na", "S"]
atoms_x: AAAAAAAAAAAAAAAA
atoms_y: gIQeAAAAAACAhB4A
atoms_z: UKEnAAAAAACAjAwA
atoms_occupancy: 0
atoms_u_iso: AF4BAODdAACQFAEA
atoms_aniso_label: ["Rb", "Na", "S"]
atoms_aniso_u11: AF4BAGDqAAAwCwEA
atoms_aniso_u22: AF4BAGDqAAAwCwEA
atoms_aniso_u33: AF4BAFDDAADAJQEA
atoms_aniso_u12: AAAAAAAAAAAAAAAA
atoms_aniso_u13: AAAAAAAAAAAAAAAA
atoms_aniso_u23: AAAAAAAAAAAAAAAA
qdat:
AAAAAAAAAAAAABAAAAAAAAAAAAACAAAEAAEAAAAAAEgACACAAAAAUAAIAAAAAgAREAAABIERAAAFAAAAABIQgAAAAyIAAGKCAgECCAgMIgBAgiBAAikSAgAEgUgACBVEERhJFhEIGBEiRqoTBGAgAUCkQIIEEWKSREQyCQ==


formula: Ta S2
compound: <missing>
pub_title: Structure of 2H-TaS2
formula_title: TaS2
a: 3.314
b: 3.314
c: 12.097
alpha: 90
beta: 90
gamma: 120
cell_volume: 115.057
crystal_density: 7.074
atoms_sites: ["Ta", "S"]
atoms_x: AAAAAFVYFAA=
atoms_y: AAAAAKuwKAA=
atoms_z: QEIPAMBlBwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: ["Ta", "S"]
atoms_aniso_u11: IDUAAABLAAA=
atoms_aniso_u22: IDUAAABLAAA=
atoms_aniso_u33: kGUAAEBqAAA=
atoms_aniso_u12: kBoAAIAlAAA=
atoms_aniso_u13: AAAAAAAAAAA=
atoms_aniso_u23: AAAAAAAAAAA=
qdat:
AAAAAAAAAAAAAAAAAIAAAAAAAAAAAAAAAACAAEAAIAAABAAAAAIAgAAACAAAAAAUAEAAAICAgEAgAEIABBAABAiAAEAAAChAAggAiAEAABBQAGBAAQhAAABAAQAAgAICAGAhCAQAiAEEAIAARAQgKAgARIAgAEgQgSBABE==


formula: V2 K3 F4 O10 H4
compound: <missing>
formula_title: K3V2F3O8HF.2H2O
a: 8.518
b: 12.460
c: 5.981
alpha: 92.30
beta: 90.90
gamma: 102.70
cell_volume: 618.564
crystal_density: 2.465
atoms_occupancy: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Structure of tripotassium u-fluoro-u-peroxo-bis(fluorooxoperoxovanadate)(3-)
 hydrogen fluoride dihydrate

atoms_sites:
["V1", "V2", "K1", "K2", "K3", "F1", "F2", "F3", "F4", "O1", "O2", "O3", "Wat4", "O5", "O6", "Wat7", "O8", "O9", "O10"]

atoms_x:
cG4XAIDOAQBAOggAYF4oAKByLgDgQwkAUJ0XAFAy+//QGwUAECkhAJD4DQAgig8AMBEZAOADHADQlv3/0LT4/7D+AACgZSwA4NcaAA==

atoms_y:
kK4qABB9LADAciIAUOUkAJAWOwCwoyQAoM0jAAAvJgBAOjoAoLcvACCYLgDAlTEA0DErAEBtJQAw2TIA0EMoAFDnLABwXDMAsO05AA==

atoms_z:
sNgwAGBgMAAwkhAA4HYNAAAzBADANiwA4C4AAPBkPABQgxMAkMo2ALD0PACwky8AoCMeABBoIwCQUzUAIMciADBdHQCAzhoAsAIRAA==

atoms_u_iso:
0C4BAOAoAQDghwEAkJsBADCHAgCQPAEAKMcBAADbAQCI3QMAiAICAMiLAQAA2wEASHkCAIgCAgAQKgIAcGUCAEh5AgBoKwMAiN0DAA==

qdat:
AAAAAAAACAAACAAABMABABAEBRAAIAgxAFEgEFEPCAQSNBAshENFUjsJtAjKqEcveFU9Ik8219K7kmtl/Z8nyyfu/91D+Us/+PxonvX/k9/an1u/Wfx2+9Wvv/K////vvL+3u/X/+7Z/38u+t30t//7Pv9V//v/9Nr3/+/==


formula: Pb Cl2 O2
compound: <missing>
formula_title: Pb(ClO2)2
a: 6.004
b: 12.504
c: 6.010
alpha: 90
beta: 90
gamma: 90
cell_volume: 451.195
crystal_density: 9.130
atoms_sites: ["Pb", "Cl", "O"]
atoms_x: AAAAAAAAAACQiPb/
atoms_y: QEIPAACC+/+wOvf/
atoms_z: QEIPAEBCDwBAohgA
atoms_occupancy: 0
atoms_u_iso: MAEBAGhQAQDwdwEA
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Structures of lead chlorite, magnesium chlorite hexahydrate
 and silver chlorite
 Sample: Compound (I)

qdat:
AAAAAAAAAAAAAAAACAAAAAAAAAgAAAAAAEBQAACAAAAAAAAAKIIAgAADAAACGQACAAAgAbICAAIEAIwLEAASBggAAIDALMIACQaAgAhAXDkAAh6GAAMYmIAQAQAGYDFAAo4AAgg4GAMUMAEPPwAHZAYi6ADDxAyNAgLJAG==


formula: Cl2 Mg O10
compound: <missing>
formula_title: Mg(ClO2)2.6H2O
a: 7.471
b: 7.471
c: 9.980
alpha: 90
beta: 90
gamma: 90
cell_volume: 557.042
crystal_density: 1.522
atoms_sites: ["Cl1", "Cl2", "Mg", "O1", "O2", "O3", "O4", "O5"]
atoms_x: AAAAAICEHgAAAAAAsHcKAMDlEwAAAAAAAAAAAKDHCwA=
atoms_y: AAAAAICEHgCAhB4AAAAAAICEHgCAhB4AgIQeACAtEgA=
atoms_z: wEQAAHDM//+gfQ8AcI8FAMDr+f9QhQIA8HsbAGD6DgA=
atoms_occupancy: 0
atoms_u_iso: kBcDAPiMAgAQKgIA6D0CAFjIAgB4egMAOPEDABAFBAA=
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Structures of lead chlorite, magnesium chlorite hexahydrate
 and silver chlorite
 Sample: Compound (II)

qdat:
AAAAAAAAAAAAAAgAAEABAgAAAQAAhAgIAgEgACACAAwIdAEgAgECMAKAgjCNA0CkMDwICg5EJQNGRg6JCDFA7dKFHfJh5Fy0MQ+WY/n45pjaDP6OX9jUmcFr3m7pjr97GfrvSrnZzprkf+NiOv/7C6NO8W5EbszR4S1dzR==


formula: Ag Cl O2
compound: <missing>
formula_title: AgClO2
a: 6.0754
b: 6.6796
c: 6.1226
alpha: 90
beta: 90
gamma: 90
cell_volume: 248.463
crystal_density: 4.687
atoms_sites: ["Ag", "Cl", "O"]
atoms_x: AAAAAAAAAADQahUA
atoms_y: qOcGAECZJgAg4Q0A
atoms_z: QEIPAEBCDwAAcgYA
atoms_occupancy: 0
atoms_u_iso: ANsBAFCzAQAQKgIA
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Structures of lead chlorite, magnesium chlorite hexahydrate
 and silver chlorite
 Sample: Compound (III)

qdat:
AAAAAAAAAAAAAAACAAAAAAAAAAAABAAIAAUAACICAMAAAAGgEGAgAgAAKBYADAnBgAAMEsWGqEEKCzcIAAj0BWCYSJQMTcqUQZo7wWiFn14ouvl1PKZi+Nq2ws9Cz7uuub+66T1QTXD9ba17X++xeyNf2b3e5jv/Pv062f==


formula: Sn Co2 Cl2 C8 O8
compound: <missing>
pub_title: Structure of dichlorobis(tetracarbonylcobaltio)tin(IV)(2 Co-Sn)
formula_title: SnCl2[Co(CO)4]2
a: 11.716
b: 11.486
c: 12.765
alpha: 90
beta: 108.42
gamma: 90
cell_volume: 1629.776
crystal_density: 2.166
atoms_occupancy: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
atoms_sites:
["Sn1", "Co1", "Co2", "Cl1", "Cl2", "C1", "O1", "C2", "O2", "C3", "O3", "C4", "O4", "C5", "O5", "C6", "O6", "C7", "O7", "C8", "O8"]

atoms_x:
AI8vAPAyPACwEyMAQK4vANAZLwCgTgIAUHkEAHCDOQCAATgAAE0IACBGEgBwgzkAIBE4APCVHwCwUB0AEDoaAOCwFAAQwCUA8BonAMDdJQAwUycA

atoms_y:
ME0KAOCICgDAZgsAYC0TACDR///QegoAYJUKAPAVEwDQcRgAII8KAJCNCgDwYgIA0DL9/0BgCgAQ0gkAEPgLAOBKDADwpwMAIL7+/8AwFADg3RkA

atoms_z:
qHsnAPAvMAAgICkAkHMfAGAkIQCQ0ygAMH4kAFCqMgDAHzQA4Eg2AMD7OQCgOzMAYEI1AKAXIADgcxoAAGIqAIA2KwBgUy4AIJ8xANArLAAQ9C0A

atoms_u_iso:
QJACACC/AgBg3gIAILMEAKB0BACALAMAYFUEAGBbAwDgEAUAgCYEAMA5BgAguQMAQH4FAGDYAwCg6wUAwMgDAICdBQAAawMAIDAFAOAWBADghwYA

qdat:
AAAAAAAAAEAAEQAAAIREUgQIhQQEKqCiIaGZFGDaZjSQZyd7lOObvSe/Odn+EWtdfF+t1/6XzX//2+/r7v/7///9+3//7X//6/////7tf/3+/3////91v763/3f+f/Xb696/f/Xj3/Z+duf+9gXRV6ZshFwoNCABIKQBAA==


formula: Fe5 N30 O10.47 C25 K7.64 Na H10.94
compound: <missing>
pub_title: On the structure of 'potassium nitroprusside 0.8 hydrate'
formula_title: K2[Fe(CN)5NO].0.8H2O
a: 30.000
b: 11.272
c: 16.053
alpha: 90
beta: 90
gamma: 90
cell_volume: 5428.482
crystal_density: 1.835
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
atoms_sites:
["Fe1", "Fe2", "Fe5", "N1", "O1", "C11", "N11", "C12", "N12", "C13", "N13", "C14", "N14", "C15", "N15", "N2", "O2", "C21", "N21", "C22", "N22", "C23", "N23", "C24", "N24", "C25", "N25", "N5", "O5", "C51", "N51", "C52", "N52", "C53", "N53", "C55", "N55", "Wat1", "Wat2", "Wat3", "Wat4", "K1", "K2", "K4", "K5", "K6", "K7", "K8", "Na9", "Wat5"]

atoms_x:

atoms_y:

atoms_z:

atoms_occupancy:

atoms_u_iso:

qdat:
AAAAAAAoAEALIshMLEiRhz7zypaz32d93Pzu/7Z//v3//9/9//9/ff/////////3///////////////////3/7//+//v///9/9v9/9e/vi/0za7rUOpMQhCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==


formula: N Bi Cr3 O12 H2
compound: <missing>
pub_title: Ammonium bismuth chromate dichromate monohydrate
formula_title: NH4Bi(CrO4)(Cr2O7).H2O
a: 6.916
b: 7.249
c: 10.798
alpha: 80.28
beta: 90.52
gamma: 86.49
cell_volume: 532.472
crystal_density: 3.574
atoms_x: wBk1AOAAFQCQFDMAsIAVAED2IwBgFzgAYGcBAIBCKQCgASwAQLglAKDXMgCAQikAwLsaACB8IgDghTAA4NMjACCfMQA=
atoms_y: YOoAAHieDADgBg8AYL8cAKDHCwDgVw4A4GMMACCzBACAlhsAgEMUAOBuHwBg6CoA4NMjAEATAgCgzQoAwK4xAGBlKwA=
atoms_z: oBoTAGiYBABQejoAMGEtACA4JQDAKzIAoPcDAAAAAABAOjoAYB8NAIA9FQAATQgAAIIUAMDMLACgQyEAoNgdAAB1KwA=
atoms_occupancy: 0
atoms_u_iso: KMcBADjRAABgmgAAmN8AACgJAQBQswEAaFABAAgVAQBQswEAyIsBAIgCAgCQPAEAkDwBAFCzAQBgFgIAiAICAKCfAQA=
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
atoms_sites:
["N", "Bi", "Cr1", "Cr2", "Cr3", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "O11", "Wat"]

qdat:
AAAAAAAAABAAAACQQAQCECEAAgBAAMKA9FgQEIgKJgPEg2DjDR4VHjDIQDLjf+YyczjuzS9m+265/SnXPXif+9x6+Hb/u/03Pvd7P/7v9//2//dD97v7/9ufW//9b3f/fn//333v3/5ndsr6v9zd3fd/3/+f3/+/+uf9/3==


formula: Lu (Fe Co) O4
compound: <missing>
pub_title: Structures of LuFeCoO4 and LuFe2O4
formula_title: LuFeCoO4
a: 3.4180
b: 3.4180
c: 25.28
alpha: 90
beta: 90
gamma: 120
cell_volume: 255.771
crystal_density: 6.890
atoms_sites: ["Lu", "Fe", "Co", "O1", "O2"]
atoms_x: AAAAAAAAAAAAAAAAAAAAAAAAAAA=
atoms_y: AAAAAAAAAAAAAAAAAAAAAAAAAAA=
atoms_z: AAAAAAgdDQAIHQ0AQNYHADDXEQA=
atoms_occupancy: AAk9AICEHgCAhB4AAAk9AAAJPQA=
atoms_u_iso: UKAAANBwAADQcAAAqNkAAJiKAAA=
atoms_aniso_label: ["Lu", "Fe", "Co", "O1", "O2"]
atoms_aniso_u11: 0DkAAIBwAACAcAAAgLsAAKCMAAA=
atoms_aniso_u22: 0DkAAIBwAACAcAAAgLsAAKCMAAA=
atoms_aniso_u33: MG8BAKBzAACgcwAAoAkBAAB9AAA=
atoms_aniso_u12: 6BwAAEA4AABAOAAAwF0AAFBGAAA=
atoms_aniso_u13: AAAAAAAAAAAAAAAAAAAAAAAAAAA=
atoms_aniso_u23: AAAAAAAAAAAAAAAAAAAAAAAAAAA=
qdat:
AAAAAAAAAAAAEAAAAAAAAAAABAAAAAAAAAACIIAgAgAAACAAEAAAAAEAAAAAAIEAAAQAAABSCCAAEAQAAAgAAAAAAAAAACghAAgIAAIAAARAAgAAEAAAAAAAAAEQAgADSQBBAAQAAAAAAFEgIIAIAAAAAAMiBCACAASAgA==


formula: Lu Fe2 O4
compound: <missing>
pub_title: Structures of LuFeCoO4 and LuFe2O4
formula_title: LuFe2O4
a: 3.4406
b: 3.4406
c: 25.28
alpha: 90
beta: 90
gamma: 120
cell_volume: 259.165
crystal_density: 6.740
atoms_sites: ["Lu", "Fe", "O1", "O2"]
atoms_x: AAAAAAAAAAAAAAAAAAAAAA==
atoms_y: AAAAAAAAAAAAAAAAAAAAAA==
atoms_z: AAAAADAiDQCQ0QcA4NsRAA==
atoms_occupancy: 0
atoms_u_iso: MAsBAHiWAAAoxwEAILIAAA==
atoms_aniso_label: ["Lu", "Fe", "O1", "O2"]
atoms_aniso_u11: EEAAAECcAADgKAEAIMsAAA==
atoms_aniso_u22: EEAAAECcAADgKAEAIMsAAA==
atoms_aniso_u33: AKMCAKCMAABg3gIAoIwAAA==
atoms_aniso_u12: CCAAACBOAABwlAAAkGUAAA==
atoms_aniso_u13: AAAAAAAAAAAAAAAAAAAAAA==
atoms_aniso_u23: AAAAAAAAAAAAAAAAAAAAAA==
qdat:
AAAAAAAAAAAAEAAAAAAAAAAABAAAAAAAAAAIQIBABAAAAEAAIAAAAAIAAAAABAQAABAAAAFIQIAAgCAAAEAAAAAAAAAAAYEQAICAABAAAIQAIAABAAAAAAAAACIAIABpIAggAIAAAAAADEgEIACAAAAAAIkBBACAAiAgAI==


formula: Re Cl4 S2 N2 P C24
compound: <missing>
pub_title: Tetraphenylphosphonium- und natrium-15-krone-5-tetrachloro- cyclodithiadiazenorhenat
formula_title: P(C6H5)4ReCl4(N2S2)
a: 7.674
b: 12.697
c: 14.606
alpha: 77.64
beta: 80.68
gamma: 89.78
cell_volume: 1371.122
crystal_density: 1.791
atoms_occupancy: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
atoms_sites:
["Re1", "Cl1", "Cl2", "Cl3", "Cl4", "S1", "S2", "N1", "N2", "P1", "C10", "C11", "C12", "C13", "C14", "C15", "C20", "C21", "C22", "C23", "C24", "C25", "C30", "C31", "C32", "C33", "C34", "C35", "C40", "C41", "C42", "C43", "C44", "C45"]

atoms_x:
qCMMACCQDgAgHwwAsB4dAIAXEwAgifL/EDL6/8Bp/v+QkgUAQBMCAGBXDABAHhUAIJodAICKHQDgsBQAoEQMAKAkCQBgihAAoIUWAOAtFQBgGQ4AQO8HAPBH+v8A3fD/IFXq/yBD7f9gqfb/oCH9/2C2+P+g5vH/wGTq/+C46f9gUPD/QNL3/w==

atoms_y:
oPsTAHAmCgBAax0AANQXAGB9DgBgTBIAsDYZAMC/EQCQ7hcAkOgxAPB6MACgyzQAoJ8zAHD9LQDQoSkAAN8qAHBDMwDQtS4A4L0vALCINQDg/jkAsAw5AGDfOACw1DkAoAMCAPAYBgCABwUAcO48AAARKwDQuikAwJgkAIDDIACQFiIAwDsnAA==

atoms_z:
cGIPANC/CwCQcBMA4NkJAOCFFwAQuxEAULIHAJCoEgDgdQkAcDQQAHCKCgCgpwgAQJ0EAPBiAgBAOQQA8D4IANC1FQAQsBcAIL8bAHD5HQDgAxwAEPsXAPCdDQCAPBEAwIAPAEAVCgAAcgYAoEMIAMDSEgBgEw8AoPQQAIBpFgAQIRoAEF8YAA==

atoms_u_iso:
8HsCAEAHBACg9wMAoN4DACCzBACQ0AMAgKMEAGDeAgDgnwIAIFsCAECQAgDASwMAQAcEAOAWBACg9wMAQA0DAKCAAgDgHAMAoHoDAICpAwCgegMAAO4CAECQAgAgPAMAYNgDAECKAwDAyAMAQA0DAABxAgCALAMAoHoDAKB6AwCAqQMAQA0DAA==

qdat:
AAAAAAAEEAgAABDENgEQgEYQZoEmUbzBnhDDr9VBRv/v/afT9L3+lxff77//e72P///////uv//v93v/f/f////9+/3f/P9f/v3/3/+9//Z/rf/v+1+/6/V3vf5/8+//3P+vfr+ev/+/2+n/ml6bvbPMygY7okI2oIDAEA==


formula: Re Cl4 S2 N2 Na O5 C10
compound: <missing>
pub_title: Tetraphenylphosphonium- und natrium-15-krone-5-tetrachloro- cyclodithiadiazenorhenat
formula_title: Na(C10H20O5)ReCl4(N2S2)
a: 10.167
b: 15.241
c: 14.536
alpha: 90
beta: 103.67
gamma: 90
cell_volume: 2188.625
crystal_density: 1.952
atoms_occupancy: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
atoms_sites:
["Rel", "Cl1", "Cl2", "Cl3", "Cl4", "S1", "S2", "N1", "N2", "Na", "O1", "O2", "O3", "O4", "O5", "C1", "C2", "C3", "C4", "C5", "C6", "C7", "C8", "C9", "C10"]

atoms_x:
QJwFAADTEwCwIff/sOwDADAYAwAgugcAAJ4HAGARBwAQSAcAYE0WAGDvFADgyBAAgEMUAEDKIgBgmyIAQCoTAMCSDABgqAsAYIoQAICcGgBgKiAAoJYoAAD+KQCA6SIAQPQbAA==

atoms_y:
WIgLACAGDADwXgsA4BoUADC1BgAQRwMAgLgNAECXBQCAZw4AIEEXAFAuHQCgzB8AQKgXAJBkFQBgFRcAIHwiAOBcIgBgsx4AQHEcAKAIFgAAjhIAwOsSAAB2FgCAGRsAoN4cAA==

atoms_z:
IDAFAJBbCgAAXgEA0E4JANAdDQCAXPv/EFf4/wAsAQDgnv7/EKAJAGBrEQBA4gUAYEH//4BMBgAAlBEAgGEPAKDTCQBAnAAAoKT8/yCx/P+AuwAAoM0KAODODwDAXBUAIEcWAA==

atoms_u_iso:
MDcCAKD3AwAgswQAYFsDACA2BAAA4gQAYFUEAMDOAgBAkAIAgCwDAOAQBQDAwgQA4JMEAOCTBABgTwUAwLYGAOCHBgBA7wcAAFMHAABTBwAAUwcAgBoGAICXBgCA/AoAwCcJAA==

qdat:
AAAAAAAAAASACCBDIIABQZIYIoQGHOczGBn417aHs1u/m5d6f4949v/v92/7vb//3///////////f+v/z3//77/f/+f//nv//+f//////v///9//9//f7vf/Xe77d7/4998n29z8ic/NyE7ylFQkFBFQAIQBAACAAAAAAA==


formula: Er Fe C6 N6 O4
compound: <missing>
pub_title: Structure of ErFe(CN)6.4H2O
formula_title: ErFe(CN)6.4H2O
a: 7.3212
b: 12.7576
c: 13.5636
alpha: 90
beta: 90
gamma: 90
cell_volume: 1266.853
crystal_density: 2.324
atoms_sites: ["Er", "Fe", "C1", "C2", "N1", "N2", "O1", "O2"]
atoms_x: AAAAAAAAAACA/hIAAAAAALAgDAAAAAAAkNMPAAAAAAA=
atoms_y: IL0TAAAAAADQkRsAYFYIAACvGQCwTA0A4F0NAJALKAA=
atoms_z: QEIPAAAAAABAfgUAoKwDABCmCADAIAYAQEIPANAVBgA=
atoms_occupancy: 0
atoms_u_iso: QJwAAECcAADgKAEAAPoAAAB3AQAAdwEAoAMCAKADAgA=
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAEMAQAAAGAAAAAOEBANjAgOAAAYAwGYQYAgdjDAMOAF0Y/gdFfhi5nxOjm7eA/1wvwaO9E1/BeuD7/7yLXx+P39eP6yuX/8ZeKPilXeHGuxrSkfcOGdxupzhzfiXkhFznx5n+sMQpuhpEHa0wRPAcIgz==


formula: La Cr C6 N6 O5
compound: <missing>
pub_title: Structure of LaCr(CN)6.5H2O
formula_title: LaCr(CN)6.5H2O
a: 7.7053
b: 7.7053
c: 14.8155
alpha: 90
beta: 90
gamma: 120
cell_volume: 761.774
crystal_density: 1.862
atoms_sites: ["La", "Cr", "C", "N", "O1", "O2"]
atoms_x: VVgUAAAAAABAqgYA8GsNAFVYFACg2B0A
atoms_y: q7AoAAAAAABAWw8A4KsyAKuwKABQpBoA
atoms_z: QEIPAAAAAADw7AQAYKcHABCGNwBAQg8A
atoms_occupancy: 0
atoms_u_iso: gLsAAIC7AADgpQEAIL8CACA2BABAigMA
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAQCAQAAAQAAAAIQYACIYAMAABCQAEYBCQCqAQYChANAUgLIIIDYPESAPxSioMgzgoFR0ViuVSoKHZUFhUcemR40Phg9WiLEjjSpIa6YDHGMNhHOPPsuOXaUUU1pjm7Hbcp5mFCUkDtcpZm2p+qdrCWb1d==


formula: Mg.697 Fe.303 Si.5 S3
compound: <missing>
pub_title: Synthesis and structure of magnesium iron thiosilicates (Mg1-xFex)2SiS4
formula_title: Mg1.4Fe0.6SiS4
a: 12.633
b: 7.348
c: 5.901
alpha: 90
beta: 90
gamma: 90
cell_volume: 547.774
crystal_density: 1.747
atoms_sites: ["MgM1", "FeM1", "MgM2", "FeM2", "Si", "S1", "S2", "S3"]
atoms_x: AAAAAAAAAADYDw4A2A8OAEAVGQCw6xgAyI0iAHBnFAA=
atoms_y: AAAAAAAAAABAQg8AQEIPAEBCDwBAQg8AQEIPAJBVAQA=
atoms_z: AAAAAAAAAAAACR8AAAkfAAC0BQDo7ywAmK4OADAbDwA=
atoms_occupancy: 4EURAKA+DQDARBkAwD8FAICEHgCAhB4AgIQeAAAJPQA=
atoms_u_iso: ILIAACCyAABYogAAWKIAAMB2AACYigAAeIwAAIiQAAA=
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAEAAEABBAYAAAUAEAAyEEUGAQQDAKAXI4ESCDFJWTYshIv06AKKo3r8QmTVdbGmtDrJTLdk//L/V6f/q1nZdlv/+nrz327/e2f75zv/vvt+qc+vbmOf/7fv3Pz/P5303///f/++vnr71q/7199/fz3v==


formula: Mg.931 Fe.069 Si.5 S3
compound: <missing>
pub_title: Synthesis and structure of magnesium iron thiosilicates (Mg1-xFex)2SiS4
formula_title: Mg1.86Fe0.14SiS4
a: 12.677
b: 7.405
c: 5.913
alpha: 90
beta: 90
gamma: 90
cell_volume: 555.072
crystal_density: 1.636
atoms_sites: ["MgM1", "FeM1", "MgM2", "FeM2", "Si", "S1", "S2", "S3"]
atoms_x: AAAAAAAAAACgEA4AoBAOADAMGQDY4RgA8H4iAGBeFAA=
atoms_y: AAAAAAAAAABAQg8AQEIPAEBCDwBAQg8AQEIPAMBwAQA=
atoms_z: AAAAAAAAAACgBB8AoAQfAEC1BQBAEC0A2JsOAFgRDwA=
atoms_occupancy: gBkbAABrAwBguR0AIMsAAICEHgCAhB4AgIQeAAAJPQA=
atoms_u_iso: 6MEAAOjBAAAQuAAAELgAALB8AABokgAAaJIAAHiWAAA=
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAEAAEACCAQAAAIAEACiIIoUAwgEAUAsiwVEEGSRMjWmChPNcAYUidmphZLt2yOq0N1Er1dC+vd7y9/s929D+f/f2+cPekv1/bf+/u199yq3j3b9c4/ff/b/f/398u1fu/v1+f9v7+y/n3747//q1fn/==


formula: O12 B7 Li3
compound: <missing>
pub_title: Structure of lithium heptaborate, Li3B7O12
formula_title: Li3B7O12
a: 6.487
b: 7.840
c: 8.510
alpha: 92.11
beta: 104.85
gamma: 99.47
cell_volume: 411.227
crystal_density: 2.330
atoms_occupancy: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
atoms_sites:
["O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "O11", "O12", "B1", "B2", "B3", "B4", "B5", "B6", "B7", "Lil", "Li2", "Li3"]

atoms_x:
gAwZAAAFFADwOCIAUMcpAKD6DwAQqwMAwL4NAOCELAAw8fz/EM/9/9AIBACgBicAQFUQAKC5BQDAkiUAgGn9/yAYIgDQHQ0AMDQPABBG//+gmh8AkBcNAA==

atoms_y:
oMoXAAAjKAAw5TAAoLQjANByAwBglg4AELcBAAAREgAwq/f/EGgKALCIHACwpzQAELgeAIAyAgBQDhoAoLwRAFA4LAAgaQgA8AwIAEBoKgBAnQQAELAwAA==

atoms_z:
kCUTAGDtDADwPQQA0MYOAPCVBgDQ7xwA8IAWAMDrEgAQ2AgAkCMLAIDSEQCA0xUA4JYQANBVDACAhxEAACQTAGCcDQDgKR4AsMX9/6AzEwBgsBIAQMgBAA==

atoms_u_iso:
aJwAAPhcAAAoVQAAKFUAADhFAADoYgAAME0AAAhXAAAwTQAACFcAANhyAAAYWwAAOE8AAFg5AAA4RQAAeDcAAEg/AABQQQAAWDkAAIiQAADwwwAAOAMBAA==

qdat:
AAAAAAAAAAAABCAAAgAIAAADAEAQAJAgAA0AAALYBCADABBSBFCyAAoiJmxDAbhhAIMlkgZHLQFjiOegi1RqPIY15fwClTP9KjdSGJzHbftTqJ2mj/zyvP3uK6/1xf+r+mG//7x7o+b+/v17Pv/Z637s/Xr/r/h/91tb+V==


formula: (La.515 Ca.485) Ba2 Cu2.36 Al.64 O6.78
compound: <missing>
pub_title: Structure of (LaxCa1-x)Ba2Cu2(AlyCu10y)O6.78 with x = 0.52 and y = 0.64
formula_title: La0.515Ca0.485Ba2Cu2.36Al0.64O6.78
a: 3.908
b: 3.908
c: 11.647
alpha: 90
beta: 90
gamma: 90
cell_volume: 177.878
crystal_density: 5.987
atoms_sites: ["La", "Ca", "Ba", "Cu1", "Al1", "Cu2", "O1a", "O1b", "O(2+3)", "O(4+5)"]
atoms_x: gIQeAICEHgCAhB4AAAAAAAAAAAAAAAAAwLwFAAAAAAAAAAAAgIQeAA==
atoms_y: gIQeAICEHgCAhB4AAAAAAAAAAAAAAAAAwLwFAAAAAACAhB4AAAAAAA==
atoms_z: gIQeAICEHgBgrQsAAAAAAAAAAAAAlRUAIB4IACCVCQDwNRYAAAAAAA==
atoms_occupancy: 4G4fACCaHQAACT0AAPkVAAAQJwAACT0AQOMJAAB8FQAACT0AwM0XAA==
atoms_u_iso: 4GAAAOBgAAAQ1gAAMOwBADDsAQBQXwAAYGcBAKAJAQBAgwAAYGcBAA==
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAgAAAAAAAAgAAAAAAABgIAAAIAAAgBggAAgABgEAAAAAYEoAEABA0AEgECgAEBgAgEAhpBAAPoKAhQDAQrAAwjABDiUAOAggGEEViAHRASgYRUAJ2QJkIRgQgQgFgA0YChCPAIEBOkDAiBIViBkCUMjAJ6CsyU==


formula: Ru S2
compound: <missing>
pub_title: Structure refinement of pyrite-type ruthenium disulfide, RuS2, and ruthenium diselenide, RuSe2
formula_title: <missing>
a: 5.6106
b: 5.6106
c: 5.6106
alpha: 90
beta: 90
gamma: 90
cell_volume: 176.615
crystal_density: 6.213
atoms_sites: ["Ru", "S"]
atoms_x: AAAAAFizFwA=
atoms_y: AAAAAFizFwA=
atoms_z: AAAAAFizFwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: ["Ru", "S"]
atoms_aniso_u11: KCMAAKgvAAA=
atoms_aniso_u22: KCMAAKgvAAA=
atoms_aniso_u33: KCMAAKgvAAA=
atoms_aniso_u12: +P3//5gDAAA=
atoms_aniso_u13: +P3//5gDAAA=
atoms_aniso_u23: +P3//5gDAAA=
qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAIAAACAAACAAAAAABAAAgAAAABAACAAIABAAAACAAgAQAIAEAEAEAAAIAIAQAgAAEAQAACAQBAIAgEAgAAgEAgIBAQEAAICAgICAgQACBAAIABAgAIECCBAgQAIEECBBBA==


formula: Ru Se2
compound: <missing>
pub_title: Structure refinement of pyrite-type ruthenium disulfide, RuS2, and ruthenium diselenide, RuSe2
formula_title: RuSe2
a: 5.9336
b: 5.9336
c: 5.9336
alpha: 90
beta: 90
gamma: 90
cell_volume: 208.908
crystal_density: 8.234
atoms_sites: ["Ru", "Se"]
atoms_x: AAAAAKg7FwA=
atoms_y: AAAAAKg7FwA=
atoms_z: AAAAAKg7FwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: ["Ru", "Se"]
atoms_aniso_u11: CC8AAOA4AAA=
atoms_aniso_u22: CC8AAOA4AAA=
atoms_aniso_u33: CC8AAOA4AAA=
atoms_aniso_u12: YP///4ACAAA=
atoms_aniso_u13: YP///4ACAAA=
atoms_aniso_u23: YP///4ACAAA=
qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAEAAAAIAAAEAAAQAAAAABAAAgAAAAEAAQACAAgAAAEABABAAgBABACAAAEAQAgCAAAgCAABAIAgEBAIBAACAgIBAgICAAIEBAgIECAAQIAEABAgAQIIIECCACBBBBBBABBBBCBCAE==


formula: Ca P3 N2 O12 H16
compound: <missing>
formula_title: Ca2(NH4)2P6O18.6H2O
a: 12.821
b: 12.537
c: 7.029
alpha: 90
beta: 90
gamma: 90
cell_volume: 1129.819
crystal_density: 2.170
atoms_occupancy: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Crystal chemistry of cyclo-hexaphosphates. XII. structure of ammonium calcium
 cyclo-hexaphosphate hexahydrate

atoms_sites:
["Ca", "P1", "P2", "P3", "N1", "N2", "OE11", "OE12", "OL12", "OL13", "O221", "O222", "OL23", "O231", "O232", "Wat1", "Wat2", "Wat3", "H1N1", "H2N1", "H1N2", "H2N2", "H1W1", "H2W1", "H1W2", "H2W2", "H1W3", "H2W3"]

atoms_x:
gKwKAFgwCQAASzIAyAw6AAAAAACAhB4AsGgyANBeMABwwgkA8CsgAGDNCQBQ2Q0AAFk4AEBFNACQlwAAYLIaACDXFwDwMDQAYCQhAKDGIADgTzkAQB8AAOBcIgBAWSAAgIUJAAA5NQDgRCYAYPsSAA==

atoms_y:
0C8PAMCuCQCQAAEA2KwMAAAAAAAAAAAAwAwzALAvLwAwNwIAwMwTAPDyAwBQqhkA8LQFADCYDwDgSxAAkO80ADBzEQBwux8A4IAcAEBHIwCgWx0AwDgbAOAKBgCAeQsAIC4vAEDLDQDAyAMAwAE5AA==

atoms_z:
ELkJANAkKQBgXDkAINg0AECbFQCARP//wJYcAFB+MQCQ1CwAYLASAOCNBQCgxQMA8CU6AMCILwDQtgAAgLInAJCaJQCAeigAQB0qAACfJADA+zkAgKkDAEBZIABArCcAgE8SAAC9HwAAahgAAKYOAA==

atoms_u_iso:
CMAAANjHAADYxwAA8MMAAIgCAgCotAIAeEoBAPAiAQBQVAEAmD4BANAkAQBAZAEAkEYBAPAiAQC4MgEAiAICAFCOAwBYowQAiN0DAMBRAgCQFwMAkBcDAJAXAwCQFwMAkBcDAJAXAwCI3QMAiN0DAA==

qdat:
AAAAAAAAAAAAAAAAKAIgAAILAAACABJAiewwDVUHgQwB502KIiXzqrBlpr5Lf7PY+9/3v453P//v//t/dz//3Zv///3qv/e//7/u/e//1v3eu//v7et3rtdf/f7v76+t3+t1X/X9/+/y//+6/93V7/7/v9e7f+138rf+n4==


formula: Mo3 O9 N
compound: <missing>
pub_title: (NH4)Mo3O9, an ammonium molybdenum bronze
formula_title: (NH4)Mo3O9
a: 14.819
b: 7.708
c: 6.386
alpha: 90
beta: 93.56
gamma: 90
cell_volume: 728.032
crystal_density: 4.067
atoms_sites: ["Mo1", "Mo2", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "N"]
atoms_x: SIcDAKAwBwAAAAAA0OkEACArCgAgWwIA8FINAODfCAAQ3iAAUDgTAA==
atoms_y: 0PIPAAAAAABAvw8AIHcOAODODwAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
atoms_z: 4H0QAMBUJwAAAAAAwBskAMAPDQAg3BIAoEkgAAAtNwAAERIAoM0KAA==
atoms_occupancy: 0
atoms_u_iso: MHUAADCOAACgjAAAQJwAAMDaAAAgTgAAwNoAAAD6AAAgywAAYOoAAA==
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAQIEAAAAAJAAQAQIADBBCAQCAgIAIWQCEkAAIEK4RpIfoJAgKDFaXApYgJWMeGLiOthE0yQ9JOZWIAcv1lYDlGs80K5yGSfi3giMf+h+UYrckmaRoV7rqAt6s5Vb3Z+/o+y80KZl2Lvybvl4kytAi/JqX==


formula: Mo2 P3 K O13
compound: <missing>
pub_title: Structure of a molybdenum(V) phosphate Beta-KMo2P3O13
formula_title: KMo2P3O13
a: 9.701
b: 18.848
c: 6.389
alpha: 90
beta: 106.96
gamma: 90
cell_volume: 1117.387
crystal_density: 3.162
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
atoms_sites:
["Mo1", "Mo2", "P1", "P2", "P3", "K1", "K2", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "O11", "O12", "O13"]

atoms_x:
qOoDADidJQCgIBIAUKISABDo/f8QLgMAcBAWAFARDQBQsQMAADkDAPBKHwDArfv/UHz3/1A8IwAQJCYAMKolAICiMgBw5RgAUB4oAHDXEgA=

atoms_y:
MOkJACDEFgAwECQAkGIcAKDnEwAgNQAAAA8KAKDaDAAgSgkAgDoJAIDbAwCgGQ8AoIEGAKCKEQCwrBYAAGoYAKCeFgBAohgAgKMdAJD2HgA=

atoms_z:
0F4XADhxCwDgZBAAIIAAAMDGFADghf7/AIoCALBcGwBQLgQAAOUpAKBaGQDAsxMAQB0RADDJCwCgP/j/gCAeANCbEQDQGwUA4CoJACDIDQA=

atoms_occupancy:
AAk9AAAJPQAACT0AAAk9AAAJPQCAhB4AgIQeAAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQA=

atoms_u_iso:
+GYAAIBmAAC4fgAA2HIAALh0AAB4egMAuGIDAGDvAAAQuAAAyM0AADikAAD4uwAAkN0AAKg4AQA4rgAAGLAAALDbAAAAvgAAMKwAABiwAAA=

qdat:
AAAAAAAAAAAYEAABAAgAUAURAyAAkAgCmJqTwGQ0PAEDU9cHwRcPDjh978V+6IZNc/Ib2u8LrU/v7L/1j6cy93tedNu1t9lvdO9Q/v/53+/Z93Ten+u37Pfe953df7X+9/58/lzbid/vZ/3Xyvz7dZvfo6+vfV7Vf7fb8z==


formula: P2 (Na1.333 Zr.667) O7
compound: <missing>
pub_title: Structure of (Na2/3Zr1/3)P2O7
formula_title: (Na2/3Zr1/3)2P2O7
a: 6.867
b: 12.345
c: 27.527
alpha: 90
beta: 90
gamma: 90
cell_volume: 2333.550
crystal_density: 3.022
atoms_sites: ["P", "Na", "Zr", "O1", "O2", "O3", "O4"]
atoms_x: IN0vAGDVEABg1RAA4Os4AJA+LADwqSQA4Gc1AA==
atoms_y: AGUdALCPHwCwjx8AALcgALAfIQBQOhsAYOMWAA==
atoms_z: EC4DAECdBABAnQQAMCUFAABkAABg6wQAoLgBAA==
atoms_occupancy: AAk9ALiwKABIWBQAAAk9AAAJPQAACT0AAAk9AA==
atoms_u_iso: uHQAAPipAwD4qQMAUPUAANDPAAAIwAAA6GwAAA==
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAQABCABAAAABAAEBEFAAhIAQUBACAAAcOBBgIkMGADCBCIAsNNQQDJQFQUABJhRNilUQOCiwAJwqQ5FiIYSJEQYAEADBAyllIYEwRkYBABQAzGCqDEFAQKGBQCAEhEZChCQgQCBCpAiIQAIUwQDEACAA==


formula: Y Se2 Na O6
compound: <missing>
pub_title: Synthesis and crystal structures of two novel selenites, NaY(SeO3)2 and NaLa(SeO3)2
formula_title: NaY(SeO3)2
a: 5.397
b: 8.525
c: 12.765
alpha: 90
beta: 90
gamma: 90
cell_volume: 587.310
crystal_density: 4.137
atoms_sites: ["Y1", "Se1", "Se2", "Na1", "O1", "O2", "O3", "O4", "O5", "O6"]
atoms_x: ID8PAFCN8P8ATgwA0B0NAGDE/v9g4/3/ABYmAKA5EgBwnDkAwO4eAA==
atoms_y: uLoKAKgi/v/AsS4A0GsAANBQEQDgeyEAIJMaAFDJGABgpwcAAC4JAA==
atoms_z: YDEFAPBsDADA6gQA4DoXALB0/v+gcREAAH4dAECSCgAgUQwAIJodAA==
atoms_occupancy: 0
atoms_u_iso: 0GsAAECDAABwewAAIC8BAEDnAABg0QAAwKgAAEC1AADwoAAA0LYAAA==
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAABAIAAAAAAgMAAEQEAIJCAIABBDimVBJIikJQBDZkY4kBOkgDzTOqVNxsrwaXFMaakq6tuub69lWOD3vIrfn/y//+t9c675fl/O9qX9/9fvcv/0+1/7vfu/7zf6+9/p37niv+ff0+7orJO//3n9fvfqnF==


formula: La Se2 Na O6
compound: <missing>
pub_title: Synthesis and crystal structures of two novel selenites, NaY(SeO3)2 and NaLa(SeO3)2
formula_title: NaLa(SeO3)2
a: 6.696
b: 6.761
c: 13.199
alpha: 90
beta: 101.51
gamma: 90
cell_volume: 585.524
crystal_density: 4.717
atoms_sites: ["La1", "Se1", "Se2", "Na1", "O1", "O2", "O3", "O4", "O5", "O6"]
atoms_x: eAooAMDjJACQazEA4GYxAJDkCAAgEQYAgFIeACAwHgAwajgAoLwRAA==
atoms_y: uEoHAJAQCgBgBQkAwFMKALBlDQBAzgAA0BALAOBWCgBwlwwA8DIKAA==
atoms_z: wP4JAGj9JgD4URoAsOw1ALBJMwDwZScA4Pg6ADBhLQBAigMAEGgKAA==
atoms_occupancy: 0
atoms_u_iso: IE4AAEBqAAAAZAAAAPoAABCLAADQnQAAEIsAAKClAACg1wAA4N0AAA==
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAwEAAAAYADAAABIAgoAB1EBFKAFAINAMRFXIgWGgDajHhMDsxtSHKY27th4+LJbO3D5XbtCvvsquove+n2rV/run3fu8/zPVe/6mf/51d17fb3v7/vXu/b/392X+9bv+6v/7r/Nva//d///zv+779v9==


formula: Li Ga S2
compound: <missing>
pub_title: Structure of lithium gallium sulfide, LiGaS2
formula_title: LiGaS2
a: 6.519
b: 7.872
c: 6.238
alpha: 90
beta: 90
gamma: 90
cell_volume: 320.119
crystal_density: 2.921
atoms_sites: ["Li", "Ga", "S1", "S2"]
atoms_x: IIAZAAB+BADwzQUAsAUEAA==
atoms_y: 0NEIAPDBBwBwwyYAkAkHAA==
atoms_z: 8KgHAPBxJQCQZQAA8Es8AA==
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAAAAABEAAAADAAAAgQEBIIACEACBoAiUAIAgQiVEiAEgSQYUgNqYSGEOlUDqjQQAxoWSbGzvSSPBtMzuDqPNTqQlhfP0Tq0Wblw91709cdXtj/9pXV3/WN//sn1/uzsl7f/353/7O+P9rT+2/n2X//9==


formula: O8 Cr2 K3 Na
compound: <missing>
pub_title: Structure and phase transition of K3Na(CrO4)2
formula_title: K3Na(CrO4)2
a: 5.8580
b: 5.8580
c: 7.523
alpha: 90
beta: 90
gamma: 120
cell_volume: 223.574
crystal_density: 2.765
atoms_sites: ["O2", "O1", "Cr", "K1", "Na", "K2"]
atoms_x: QAbO/1VYFABVWBQAVVgUAAAAAAAAAAAA
atoms_y: wPkxAKuwKACrsCgAq7AoAAAAAAAAAAAA
atoms_z: kHYSACCyAAAo1A0AWMAoAICEHgAAAAAA
atoms_occupancy: 0
atoms_u_iso: AMIBAJBZAgDogAAAePUAANC2AADQ+wEA
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAABAAAAAAAAAABAABAAAAAACCAAIAABAEAIEAABAAAAAiIACIAJAEAAQBCKAEDACCBAoEAgBOAIgQEADgEwSCAECTABAJwBBQwBxLCKAVAsSABALBmIYrFGKBKAoFiMSSJCgyIycQAsrFYGNBklIwoLIFMn==


formula: Ge5 O12 Li4
compound: <missing>
pub_title: Structure of Li4Ge5O12-a new compound in the Li2O-GeO2 system
formula_title: Li4Ge5O12
a: 5.120
b: 9.143
c: 9.586
alpha: 72.95
beta: 77.74
gamma: 78.81
cell_volume: 415.042
crystal_density: 4.663
atoms_occupancy: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
atoms_sites:
["Ge1", "Ge2", "Ge3", "Ge4", "Ge5", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "O11", "O12", "Li1", "Li2", "Li3", "Li4"]

atoms_x:
IIkLALCjCwDA+RgAYPQPADAyBwAgUhAA8HkTAHALGwBwUAMAkOH8/wBAHwBAFg4AsAAJAECvGgCQQQYAIBsVACBZ+v9glicAQLcIAEA67/+w9hIA

atoms_y:
MH8PAGAXBgDgqxkAEOoFAPBFJACQkyIA8A4QAHBYIwDQTBoAsCItAACBEACA1BkAoLAsAGA6/P/wMQYAACcGAHDmAwCg1xkA8NgYAIDoBQDACy8A

atoms_z:
EBY5AGCjKQBAYScAMGAQAHDyMwAwjx0AELkiAICULABQWC8AILAqAGBzMQDgxAAA0Ak6ANBcKACA4TQAAPsEAOBdJgBwSjYAQKIYANCZOwDQ6iEA

atoms_u_iso:
IMsAACDLAAAgywAAIMsAACDLAACgCQEAoAkBAEAZAQBg6gAAAPoAAKAJAQAA+gAAYOoAAGDqAAAA+gAAoAkBAAD6AAAAdwEA4KUBAMBXAQDA1AEA

qdat:
AAAAAAAAAAACQAIAAAAAAQJQwAAITBAQACBUJWEIAgoyDKqHKZxCQACC7M/CkY/pzlk8m20ZymaSHuPbr23v/w8/S9effPK6Vd9D/nb////7y/q//7+1//v/3+f9///r839fbe5P7/j5jdyfftu/8b9pXbHq3smXIxW+93==


formula: P3 O14 N3 H4
compound: <missing>
formula_title: (NH3OH)6P6O18.4H2O
a: 10.365
b: 9.278
c: 7.280
alpha: 108.39
beta: 100.30
gamma: 96.02
cell_volume: 643.806
crystal_density: 1.872
atoms_occupancy: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Crystal chemistry of cyclo-hexaphosphates. VIII. structure of hydroxylammonium
 cyclo-hexaphosphate tetrahydrate

atoms_sites:
["P1", "P2", "P3", "OL12", "OL13", "OE11", "OE12", "OE21", "OE22", "OL23", "OE31", "OE32", "N1", "O1", "N2", "O2", "N3", "O3", "Wat1", "Wat2"]

atoms_x:
GDYRAPDOGADAkRIAkC8YAKg7EgCILQkAcHwTAKgdFwAo4SgAMCsiAJgYEwAY4QsAgMkfAKBDIQAAeAUAsLsHAMBYNwBAvDUAULkKAHCWOgA=

atoms_y:
qEMeAFiILgBAYAoAIAIkAND9EwBgQyAAULgfANC5NAAQgg4AYJIwAFhAAwDAqggAgGYKAIDSKgDAKzIA4BUyADAqGQCgjiEAwBQIAFApCQA=

atoms_z:
INIXAICjLAAInw0AcKMjAADtFwDQMxoA8O4MAKBdJQAQ/QYA0GUzACC9EwBA9AIAEOEsABBQDgAAlhkAQMUOALCDCACQpQYAq7AoAMDdDAA=

atoms_u_iso:
SNoAAODEAADAxgAAgEIBAAgVAQBQVAEAMGABAJA8AQAwYAEASP0AAKBAAQAwYAEAkEYBAFC9AQBQXgEA2OQBAFhWAQB4CAIAqJcBANjkAQA=

qdat:
AAAAAAAAAAEAgAAEAIAAFACAQBARCAAYBAMoRggIBSDghMCGJgoTyAkVAKDNMRVsALF7V61mGm0rx9hRTn6K1f5QwvVix/28eKW9f378bs22vne72PzL+P1v/Xt3fn999bfPXq/+v/a/58/7+/U/q+z//X3/9n//u/7u27==


formula: P3 O14 N3
compound: <missing>
formula_title: H32 N6 O28 P6
a: 10.365
b: 9.278
c: 7.280
alpha: 108.39
beta: 100.30
gamma: 96.02
cell_volume: 643.806
crystal_density: 1.852
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Crystal chemistry of cyclo-Hexaphosphates. VIII. Structure of
 Hydroxylammonium cyclo-Hexaphosphate Tetrahydrate
 _cod_database_code 1007190

atoms_sites:
["P1", "P2", "P3", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "N1", "O10", "N2", "O11", "N3", "O12", "O13", "O14"]

atoms_x:
GDYRAPDOGADAkRIAkC8YAKg7EgCILQkAcHwTAKgdFwAo4SgAMCsiAJgYEwAY4QsAgMkfAKBDIQAAeAUAsLsHAMBYNwBAvDUAULkKAHCWOgA=

atoms_y:
qEMeAFiILgBAYAoAIAIkAND9EwBgQyAAULgfANC5NAAQgg4AYJIwAFhAAwDAqggAgGYKAIDSKgDAKzIA4BUyADAqGQCgjiEAwBQIAFApCQA=

atoms_z:
INIXAICjLAAInw0AcKMjAADtFwDQMxoA8O4MAKBdJQAQ/QYA0GUzACC9EwBA9AIAEOEsABBQDgAAlhkAQMUOALCDCACQpQYAq7AoAMDdDAA=

qdat:
AAAAAAAAAAEAgAAEAIAAFACAQBARCAAYBAMoRggIBSDghMCGJgoTyAkVAKDNMRVsALF7V61mGm0rx9hRTn6K1f5QwvVix/28eKW9f378bs22vne72PzL+P1v/Xt3fn999bfPXq/+v/a/58/7+/U/q+z//X3/9n//u/7u27==


formula: Ca Ba3 Cu Si6 O17
compound: <missing>
pub_title: Ba3CaCuSi6O17: a new {1B,11}[4Si6O17] chain silicate
formula_title: Ba3CaCuSi6O17
a: 14.405
b: 16.077
c: 7.088
alpha: 90
beta: 90
gamma: 90
cell_volume: 1641.504
crystal_density: 3.869
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
atoms_sites:
["Ca", "Ba", "Ba1", "Ca1", "Ba2", "Cu", "Si1", "Si2", "Si3", "Si4", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10"]

atoms_x:
YFQAAGBUAACAwf//gMH//0BCDwDwKyAA8A/7/yCIBwCAAgoAEOgWAOBBAQCQjQoA8IsQALCBGQAwf/b/0AkIAEByBwCwXQYAsBAXAKCGGgA=

atoms_y:
AAAAAAAAAABAQg8AQEIPANDdBgAAAAAAQEIPAEBCDwDgvwUAoG4FAEBCDwAQTwoAUJIEABBPCgBAQg8AQEIPAOCSAADgaAcAII4GAJCd//8=

atoms_z:
AAAAAAAAAACw3wEAsN8BADDKDwAAAAAAcNQfAMD7IABA4C8AoNYuABA9JgDA9iUAYMszAHDmNQDwcikAcKUSADBzKgBw+joA0FQhAEA7DAA=

atoms_occupancy:
wPU6AEATAgDA9ToAQBMCAAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQA=

atoms_u_iso:
qIQAAKiEAACQiAAAkIgAAECmAACIkAAAiIYAAAC+AAAYsAAAUKAAADABAQCA7QAA4CgBABAqAgAwAQEA+MUAAJA8AQBIngAAwHYAAOAoAQA=

qdat:
AAAAAAAAAAAAAgEgQCAEACAAEMgwEVABJ4gJEAi7gHgHDsURGlzwWeYktyVzdiUW93256B3dL1Xq/5t+y923iNx7u9jX6Pe0n77OC25vGcxWK/zqU57dDkbxRzMguJuhiamrMZfSbejazbUGZcUxeXtWjtkiXoWoBmXGiU==


formula: Mo4 F O16 K3 H6
compound: <missing>
pub_title: Structure of potassium difluorooctamolybdate hexahydrate
formula_title: K6[Mo8O26F2].6H2O
a: 10.497
b: 10.403
c: 8.001
alpha: 107.16
beta: 95.77
gamma: 105.53
cell_volume: 788.896
crystal_density: 3.292
atoms_occupancy: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
atoms_sites:
["Mo1", "Mo2", "Mo3", "Mo4", "F", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "O11", "O12", "O13", "K1", "K2", "K3", "Wat1", "Wat2", "Wat3"]

atoms_x:
mOAdAGDWCgAAmx4A8LIMAKB3EADQ6iEAYBADANAPBwCA5xoAcM8kADBxCQBwqAUA8LUiAFApCQCw6hQAEM8WABAAEwCQnRgAMNodAGDFNAAQaAoAoEAuACDsBwCg6jMA

atoms_y:
4EgdABDcDgAYTjAASDsiAHC2CwCwHRkAcNAPAAD7BABAqTQAEBY5AKArJQBQCiMAoH0oAMDZFQDQDC0AsAIRALBWHADgKiIAMA0JAGARBwBA4h4AYMELAPDPDQAgYgUA

atoms_z:
WM4QAIjJCACw8yQAeNgYAKCL/P/QygUA0FIAAMAhCgDAUDAAUKYiABDfJABwOg8AkAAVACAuFgCgCRoA4HcRAOBQCwCg+CAAAGQyACBxKADg3jYAsKk8AOArJgDQ+RIA

atoms_u_iso:
YFwHAPD6CgAA8AoA4BgMAHAkAgDAPgEAsMYBALD4AQDA7QEAQMgBALBDAgBwCwIA4FoBAAAsAQBgZwEAYAMBAJD7AACAHwEAMB4CAHBWAgBwPQIAUAIDAJDpAwAgBAQA

qdat:
AAAAAAAAAAEQAAgAAEAgEQQAABCMgBACAKBQCkwAQhSArYRgCAVVTEJ1gUDzcqzNozGeWP/IuN+x9rpW4VWPsbnb/tpjNft8Np7r9uv//+++/3/3+P/x/3f//kpe/vv73n999P/9z/t/9/9fetf706dN/P7u+v/f/vz+/7==


formula: Al3 Y3 Ge2 Ni
compound: <missing>
pub_title: Y3NiAl3Ge2, a quaternary substitution variant of the hexagonal Fe2P type
formula_title: Y3NiAl3Ge2
a: 6.9481
b: 6.9481
c: 4.1565
alpha: 90
beta: 90
gamma: 90
cell_volume: 200.660
crystal_density: 4.564
atoms_sites: ["Al", "Y", "Ge", "Ni"]
atoms_x: wNcNADBlJABVWBQAAAAAAA==
atoms_y: AAAAAAAAAACrsCgAAAAAAA==
atoms_z: gIQeAAAAAACAhB4AAAAAAA==
atoms_occupancy: 0
atoms_u_iso: gD4AAOBgAACwaAAAsJoAAA==
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAgAAAAAIAAAQAAAIQAAiAAAAAIAASAAQACAEIBCBKAAACBKAQAgIgqCIAAgAQKBgEEhYCAQoBBQoGKgRAsGBEiBZAkSUWBHGEmEglBAnFJNWCQYJxDhHKU4rTKUcrnEIbxKUiFU5VcjGV7h93KyiZ8Y0==


formula: Y Ge Al
compound: <missing>
pub_title: Structure of YAlGe and isotypic rare-earth-aluminium germanides
formula_title: YAlGe
a: 4.0504
b: 10.440
c: 5.7646
alpha: 90
beta: 90
gamma: 90
cell_volume: 243.763
crystal_density: 5.136
atoms_sites: ["Y", "Ge", "Al"]
atoms_x: AAAAAAAAAAAAAAAA
atoms_y: MOoSAKD5JAAAAAAA
atoms_z: QEIPAEBCDwAAAAAA
atoms_occupancy: 0
atoms_u_iso: EA4AAKAPAACgDwAA
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAAAAAgAAAAAAiAAAAAQAAIAACQEACgCAAAAACABQEIAoIQQBQAEIbAAIACABIAjUIIYJwAQIQQQBIshYuIxAcKAwIKIXSKjHklAYAyGmjqwKVMoIYiGSlSYzJASGliBBtg4CVUrLsgAonNeqoNZgIqz==


formula: Cu O2 H2
compound: <missing>
pub_title: Structure of copper(II) hydroxide, Cu(OH)2
formula_title: <missing>
a: 2.9471
b: 10.593
c: 5.2564
alpha: 90
beta: 90
gamma: 90
cell_volume: 164.098
crystal_density: 3.949
atoms_sites: ["Cu", "O1", "O2", "H1", "H2"]
atoms_x: gIQeAAAAAAAAAAAAAAAAAAAAAAA=
atoms_y: QKApAHATIgCgyjAAIN8eABDwNgA=
atoms_z: QEIPAGB3DwBwAQwAYCIZAKCuCwA=
atoms_occupancy: 0
atoms_u_iso: YIYAAFDDAADQnQAA4KUBAAD0AQA=
atoms_aniso_label: ["Cu", "O1", "O2"]
atoms_aniso_u11: sIEAAFDDAACwmgAA
atoms_aniso_u22: wHYAALCBAAAAZAAA
atoms_aniso_u33: IJkAAIAGAQDwPAAA
atoms_aniso_u12: 8PH//3BJAACADAAA
atoms_aniso_u13: AAAAAAAAAAAAAAAA
atoms_aniso_u23: AAAAAAAAAAAAAAAA
qdat:
AAAAAAAAAAAAAAAAAAABAAAAAAAAgAAAAAAABAAFAAgAMAIAAAIAAAIAQAAIBgEggAAAAAQWBBACEBASIMQDQIAJEgEAUAChABRYJEABAAdwShSIVFIEiEAUASyIyhIwWAABBUQCoARgdA0MMmRGBggURQgsAJAa8EDEwQ==


formula: Mo21 Se23 Cs5
compound: <missing>
pub_title: Structure of Cs5Mo21Se23 containing Mo21 clusters
formula_title: Cs5Mo21Se23
a: 9.6513
b: 9.6513
c: 29.939
alpha: 90
beta: 90
gamma: 120
cell_volume: 2415.125
crystal_density: 6.182
atoms_sites: ["Mol", "Mo2", "Mo3", "Mo4", "Se1", "Se2", "Se3", "Se4", "Se5", "Csl", "Cs2", "Cs3"]
atoms_x: MLUfAHDKKQAApB8A4PopAICvAgDADyYAEFErAHD7JQCrsCgAq7AoAAAAAAAAAAAA
atoms_y: 0BYKAKAxCwBwDQoAsFgLAACbFACQnf//8K0CALAEAABVWBQAVVgUAAAAAAAAAAAA
atoms_z: uPofAMikJAAAMSkAwMYtAFC2HACwDQYACDgpAEBCDwBA4BsA+D4KAEBCDwCgyAUA
atoms_occupancy: 0
atoms_u_iso: wHYAAOhiAADoYgAA+GYAAKiEAAB4lgAAeJYAAIiGAABIngAAsDoBAAByAQDofwEA
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAgAAAAEgoAIABAAmhAUpgViAWACZBogXQwQUAsjaJIUhSagSKjIdMxgYKlR0qZGHXSpJg9c08kw01ppCBXtMe4pWLSRDXOtzP9qoY8u/Wbz6zrSowmpqiN3fk6pU79261O6RIWyeupO2mTmSIh3Z8rPUoiIAB52T==


formula: Sb2.21 Pb1.79 Se5
compound: <missing>
pub_title: Structure of antimony lead selenide, Pb4Sb4Se10, a selenium analogue of cosalite
formula_title: Pb4Sb4Se10
a: 24.591
b: 19.757
c: 4.166
alpha: 90
beta: 90
gamma: 90
cell_volume: 2024.028
crystal_density: 6.791
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
atoms_sites:
["SbM1", "PbM1", "PbM2", "PbM3", "SbM4", "PbM4", "SbM5", "PbM5", "SbM6", "PbM6", "SbM7", "PbM7", "SbM8", "PbM8", "Se1", "Se2", "Se3", "Se4", "Se5", "Se6", "Se7", "Se8", "Se9", "Se10"]

atoms_x:
8JoaAPCaGgCgBxIAEMUHACCmAgAgpgIAUKAKAFCgCgCwmgAAsJoAAICFCQCAhQkAoIQSAKCEEgAQORYAYBkOANACBQDwNwUAkJ8HAKAcAgAweAwA4A4WAKCHHgBglg4A

atoms_y:
UOQgAFDkIABg3RcAACoSAOAOLwDgDi8AgPEpAIDxKQCAFSQAgBUkABCMHQAQjB0AEDAkABAwJABA9ycAAFMgAMC7GgCwTCYA0D8xAJBKEQDAJBYAYCMdAODsIwAQfSwA

atoms_z:
wMYtAMDGLQDAxi0AwMYtAEBCDwBAQg8AwMYtAMDGLQDAxi0AwMYtAEBCDwBAQg8AQEIPAEBCDwDAxi0AwMYtAMDGLQBAQg8AwMYtAEBCDwBAQg8AQEIPAEBCDwBAQg8A

atoms_occupancy:
gAwyAID8CgAACT0AAAk9AACIEwAAgSkAALY1AABTBwAAnyQAAGoYAAC2NQAAUwcAACc4AADiBAAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0A

atoms_u_iso:
4KUBAOClAQCgAwIAYOQBACBIAQAgSAEAYGcBAGBnAQCAtQEAgLUBAAB3AQAAdwEAwFcBAMBXAQCAMgIAwFcBAEAZAQAgSAEAAHcBAECWAQAgxQEAQJYBAECWAQBAEwIA

qdat:
AAAAAAAAEAiAACAAAhgAgQBIAGUzECZlQwsD1ugQZKPbl2CNkG6qw/eeecDO6zJhrRaFmRE4E1QjS8pD6aOq0KDRyaXANiQGEARAF02TYtbcMeZKsC5IMQCQAIAAAB3rOU64z2psHlDICgBAAAAAAAB16522TlWxphIJAE==


formula: Cu3 As O7 H3
compound: <missing>
pub_title: Clinoclase and the geometry of [5]-coordinate Cu2+ in minerals
formula_title: <missing>
a: 7.257
b: 6.457
c: 12.378
alpha: 90
beta: 99.51
gamma: 90
cell_volume: 572.043
crystal_density: 4.419
atoms_sites: ["Cu1", "Cu2", "Cu3", "As", "O1", "O2", "O3", "O4", "O-H1", "O-H2", "O-H3"]
atoms_x: 0BMwABDDMQBQnRcAcNcSANBSGQAQITMAYPkKAPDAHADwmS8AgF0xAAAJCwA=
atoms_y: gIsIANBFFwAwjRUAMCYJAGBVBADwX/b/UML8/1B1DQAgagwAcMEFAGAxCgA=
atoms_z: 4BoUAKDGBwDgLhkAQPYKACCBBABAShYAIAANAGBrEQDALB0AUNIKAKAPGQA=
atoms_occupancy: 0
atoms_u_iso: kBQBABAIAQDwHQEA4N0AAJAUAQDwHQEAsP4AACAvAQCAgwEA4A8BACBIAQA=
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAACAAQIAABACIAAAAYEAEEIGKQgGEICDAtBQDKRuoRqBJE0MjASKNOU4zPFVf5qhRLpF+nVq+f47vMT7zat49fP6vf/7W+/3N0/M2/v097393/307p36+n/v//7+v7c/d5v3v++////939/a/v595vb+5d==


formula: Sr Sb F5
compound: <missing>
pub_title: Structure of alkaline-earth pentafluoroantimonates(III), MSbF5 (M = Sr,Ba)
formula_title: SrSbF5
a: 4.378
b: 8.853
c: 11.233
alpha: 90
beta: 90
gamma: 90
cell_volume: 435.373
crystal_density: 4.643
atoms_sites: ["Sr", "Sb", "F1", "F2", "F3"]
atoms_x: QIMAACC+FwBgoAQAEEEdAOBbBQA=
atoms_y: QEIPABBHAwDA9gwAsMoqAOA9PAA=
atoms_z: AAAAAEBCDwBAQg8A4NIGAED1BgA=
atoms_occupancy: 0
atoms_u_iso: cKMAABimAADANAEA0IMBACBmAQA=
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAAACAAAACgECAIAYAECBACIGAAABDYBCJQIRYKrQg3EAErBoJFZMJALViDfXm65owzjQC7C+U7YquC/7Wd/27dOvu1P+W+3r0f/gpu6e3+//tn/d3rv3f13V3Leutdbs/q/zh+7e/3vi3K/zeYXdKEn==


formula: Ba Sb F5
compound: <missing>
pub_title: Structure of alkaline-earth pentafluoroantimonates(III), MSbF5 (M = Sr,Ba)
formula_title: BaSbF5
a: 4.676
b: 9.313
c: 11.213
alpha: 90
beta: 90
gamma: 90
cell_volume: 488.299
crystal_density: 4.816
atoms_sites: ["Ba", "Sb", "F1", "F2", "F3"]
atoms_x: kK8BANDGGAAAOgcAUOkbANBBBwA=
atoms_y: QEIPAFgEAwCAcwwAEPMpAAAoPAA=
atoms_z: AAAAAEBCDwBAQg8AwAEHAGAqBwA=
atoms_occupancy: 0
atoms_u_iso: wKgAABjJAADQJAEAgKsBAJidAQA=
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAAACAAAMAIgCAAQASAQAAhKAAEEIGDgwQGpYxAmgg1EMYMZGMZCScWajXG2KZVWhI59uwjmU3U1t1/e/b3/uav7635b094s3+//33z/9r2ndf7/K7sPztour6311n9b3nrn9vMXf27tcuxV7373j6+c==


formula: Ag N3 C2
compound: <missing>
pub_title: Silver dicyanamide, AgN(CN)2 - orthorhombic modification
formula_title: AgN(CN)2
a: 16.133
b: 3.612
c: 5.983
alpha: 90
beta: 90
gamma: 90
cell_volume: 348.644
crystal_density: 3.313
atoms_sites: ["Ag", "N1", "C1", "N0", "C2", "N2"]
atoms_x: kEcFAEDRDADgRREAoAgWACA1GQAgoBwA
atoms_y: QEIPAEBCDwBAQg8AQEIPAEBCDwBAQg8A
atoms_z: MM4GAAAG///gNP//AI/9/+CBBwDAAw8A
atoms_occupancy: 0
atoms_u_iso: MNwCAMiLAQDAUQIAkBcDAPB3AQDAUQIA
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAgAAAACAABAAAAwAAAAJABEiJIAggACCABBKGEACpARBiIkNpqimJJAOylsUmRiahRcZyEEGSYA5vmFZU52PFKDTgPJETxTQ1zmLlK+CqUxA2fKfYp1+tYitB1ka1tjMyrFyI9yOZa523B+5Ouzzb8bqxr==


formula: K2 P C6 O14 H10
compound: <missing>
pub_title: Structure of dipotassium galactose 1-phosphate pentahydrate
formula_title: K2C6H11O9P(H2O)5
a: 6.228
b: 14.600
c: 8.982
alpha: 90
beta: 102.02
gamma: 90
cell_volume: 798.816
crystal_density: 1.727
atoms_occupancy: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
atoms_sites:
["K1", "K2", "P1", "C1", "C2", "C3", "C4", "C5", "C6", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "Wat1", "Wat2", "Wat3", "Wat4", "Wat5"]

atoms_x:
YIIJAOCxMQCw/RUAIK4iANBwLQDA6icA8K4fAEAeFQBAAw0A8KAZAJAUMwBQwzIAIFgoAJCLGwAQygIAAEgNANBIIwBgyA4AAD4XAEAVIwDgmgcAgIQ3ACC2EAA=

atoms_y:
sBgKAFAJBgBAwRcAUPsYAABjFQBgARIA0JwVAGC+GACAqRwAkK8VAICHEQCQVg8A8G4ZAEAmHACAZR8AkCUTAIBdGADgYR0AUL8JALC7BwBwVgIAsLcQAECLBwA=

atoms_z:
UIMsAIC5EQCgCzsAIGwtAJB8KgCAvSEA0DMaABAJHgAA8xYAcE8xAGCMMQCAhB4AsMUWAGDUJQAwbxoAUEYAAGDrBABAJzkAsBMKAMDUMwAQWzoAQKULANAUGwA=

atoms_u_iso:
uPABADDJAQBA+wAA4B4BAPAiAQDQJAEAoDYBAPAiAQAwagEA2CYBAIChAQBQvQEAcKcBAMA0AQDY5AEAEGwBABhuAQCAqwEA2EMCAHi8AgDA8gEAeGcCAPiWAgA=

qdat:
AAAAAAAAAAAAgBIAAQCAAAJBjAAkCAAoQkIRGZGJESF4TTIDyTGGqmk/oZyrjbZIbLx3H81H3ffqQ/vX60en3175+1/X9T4r/vV+/7696f3/7+7//y/35P/99+/+/b7X/++/ef1+u//+3v7/+369b/7v/Pn79vfx/+/Ozt==


formula: Co S2 O4 C19 Cl N4
compound: <missing>
pub_title: Structure of poly[u-(2,2'-dithiodibenzoato-O1,O2:O3:O4)- hexamethylenetetraminiocobalt(II)-]*
formula_title: Co(C6H13N4)(C14H8O4S2)
a: 11.074
b: 12.000
c: 9.585
alpha: 117.40
beta: 70.41
gamma: 116.65
cell_volume: 997.283
crystal_density: 1.688
atoms_occupancy: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
atoms_sites:
["Co", "S1", "S2", "O1", "O2", "O3", "O4", "C1", "C2", "C3", "C4", "C5", "C6", "C7", "C8", "C9", "C10", "Cll", "C12", "C13", "C14", "N1", "N2", "N3", "N4", "C15", "C16", "C17", "C18", "C19", "C20"]

atoms_x:
oJkbAMCwBwCAJPz/gD0VAOBUGwAwNRMA8FImAAArFgDwUxEAYK4KAJCMBgCAvQgA8C0PAKBlEwDAdBEAcJj3/2Au/v9QVAYAcOcHADBvAQDgcfn/sB0ZANDfDgAAfBUA0IUdAJDXHwBQqRUAgCwcAMDXDQBA8xcAADARAA==

atoms_y:
kMMBAHCPBQDg5AMAYDAGACCQDgDQRf7/kFoGAIBzDAAQ1BEAoGQPABDbFAAgVRwAEJ8eAKBaGQCgl/r/4MYIAIByCABgqAsAsPUOAHBTDwAgUQwAYCz2/9Bl6P9gre3/cGnq/zCX8v/gU+X/MHzq/wCp6P8Q//X/QH/w/w==

atoms_z:
UBIqAADKCAAgTBEAwCA4AGAuMACQTiEAQMYrACAwNwAQOgEAgEAIACDCDgBwJw4AQCcHADDAAACA2hgA0G4lAOCTHQCQcx8A4M4oACCMMACQyC4AUF0qAADLJQDAojMAoGkjAHDuIwBglB8AMC8tAKBsLwCQQDQAgDsmAA==

atoms_u_iso:
IKwBALDZAgAAvAIAILkDAKBuBQAgswQAoOsFACC5AwCArwIAoIACAADuAgCgegMAwMgDAGBbAwAAawMAoIACAOAiAgDAzgIAYFsDAGDYAwDgmQMAYNgDAIAmBACAJgQA4BwDAEAHBAAA6AMAwMgDAGBVBAAA4gQAILMEAA==

qdat:
AAAAAAAAAAGAEAAgAEAgAkCgAkCgQBUE0ABAC4lAkBrRwYlDkdCh8m7MQ0e1beevcbXk+rFVPf759vvt727n75+5u/3rpX+bvv/+rTl/+/3273//++////+3/e////7//tf39/fr/+l//+9+98/t/3/X/9n7xv7/j3/p8Z==


formula: Fe Cr Cl O3 N2 C16
compound: <missing>
pub_title: Structure of Cl(NO)2Cr(n5-C5H4)C(O)(n5-C5H4)Fe(n5-C5H5)
formula_title: CrFe(C5H5)(C11H80)Cl(NO)2
a: 10.938
b: 12.487
c: 12.460
alpha: 90
beta: 111.43
gamma: 90
cell_volume: 1584.166
crystal_density: 1.725
atoms_occupancy: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
atoms_sites:
["Fe", "Cr", "Cl", "O", "O1", "O2", "N1", "N2", "C", "C11", "C12", "C13", "C14", "C15", "C21", "C22", "C23", "C24", "C25", "C31", "C32", "C33", "C34", "C35"]

atoms_x:
MPctADA0DwBQbBsA8M47ADCPBADgYwwAcF4JADAhDgBwJjwAwBk1AOBMLQAAvycA4DksAIBkNABA9QYAkBEOAECIFAAQcBEAIDEJAEDOMgBQJSsAUK0lADAoKgAwQzIA

atoms_y:
wFMjAMAVJQAwtycA4OMxAKBxKgAwzBcA4GooADArHQAQ5ysAQPcnAIC5KgCgqCUAgMkfAFAWIQAw4ygAEMgsALCkKACgPSIAIGMiALCKJABgMicAoCQiABBgHADQ0B0A

atoms_z:
cKIGALDfGgCgaSMA8PUPAEDvIABwxx0AAA4fAJA0HQBAChAAkIgPAMAoDQAAFg0AAG4PAPDWEABwyhAAcPASAIAXEwBQKxEAoMgPALAj//9wxfz/gKH8/xDi/v/AdgAA

atoms_u_iso:
QJYBAMDUAQDgkwQAQA0DAIAgBQAgMAUAIL8CAGDeAgAA9AEAAPQBAIAyAgDAUQIA4CICAAD0AQAA9AEAAHECAEANAwAgvwIA4CICAGBbAwAA7gIAoIACAABxAgCg/QIA

qdat:
AAAAAAAAAAIAIIAABAgjEAQRCIGQIRJhksCS4wQpGxhwtGvCaovf39bL+fPrru6Pn+r3+u7f/f/f8/v37///8Zv//ff///9///9///vf//33//////9b//W/5/7fcv//x/v0bu98fO02ztP75+2vGmZt7UfIRiWxKKYMgc==


formula: V2 C27
compound: <missing>
pub_title: Bis(arene)vanadium complexes. A structural study Sample: 1
formula_title: V(C9H12)2
a: 19.529
b: 29.559
c: 16.446
alpha: 90
beta: 90
gamma: 90
cell_volume: 9493.580
crystal_density: 1.193
atoms_occupancy: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
atoms_sites:
["V1", "V2", "C1", "C2", "C3", "C4", "C5", "C6", "C7", "C8", "C9", "C10", "C11", "C12", "C13", "C14", "C15", "C16", "C17", "C18", "C19", "C20", "C21", "C22", "C23", "C24", "C25", "C26", "C27"]

atoms_x:
8OgXALDbCgCAjhQAILARALBHEgBA5hUAcOUYALAjGACQ1BMAgBYPAECjHAAg5BkAgP8WAOCeFwBwPRsAECIeAOB6HQBQRhkAoJEUAEAbIgDgewgA0OsMADBNDwDwOQ0AcMgIACB1BgDQ/AUAUBkUAMCEBgA=

atoms_y:
QDMFAEBCDwAg3wUAYP4FADDIBwCQegkAgGwJAOCaBwDAEwQAwPsHAHBSCwBQ3AAA0AEBADDNAgCQfwQAIGgEAGCTAgAg1/7/INgCAIAzBgCAyw4AcNYOAIAJDQAwGgsAEP4KAPDVDACwnhAAEAsNAHDhCAA=

atoms_z:
cMwEAEBCDwBw6AsAQO8HANDWAwCQ0AMAQKQHAHCdCwDASBAAwK7//zCvBwAAwwUAUNYBAADa/f8Qtv3/QK8BAIC2BQBQCgoAcIz5/9B+AQAw6xYAkA0XABD6EwCQ5hAAcMoQAKDJEwBgZxoAwEkUAGCDDQA=

atoms_u_iso:
gGQCAFCFAgDgHAMAwM4CAGDeAgBADQMAAO4CAIAsAwAgNgQAwEUEAKB0BACALAMAAO4CAMBLAwBAigMA4BwDAECKAwCAowQAQH4FAKBuBQCg/QIAwEsDACA8AwDgHAMAAO4CACA8AwDAyAMAAGUEAIAmBAA=

qdat:
AAAAAAAQAgCADEUACDQkYNGBB22zOUahV4jdZ/VXP75vL/wlPPut927+Z/f7f5yr8328ya1KLiquhghSAFgMEAgAgAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==


formula: V K C24 O2
compound: <missing>
pub_title: Bis(arene)vanadium complexes. A structural study Sample: 2
formula_title: KV(C9H12)2.C4H8O.0.5C4H8O2
a: 10.213
b: 18.518
c: 13.402
alpha: 90
beta: 89.58
gamma: 90
cell_volume: 2534.576
crystal_density: 1.075
atoms_occupancy: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
atoms_sites:
["V1", "K1", "C1", "C2", "C3", "C4", "C5", "C6", "C7", "C8", "C9", "C10", "C11", "C12", "C13", "C14", "C15", "C16", "C17", "C18", "O1", "O2", "C19", "C20", "C21", "C22", "C23", "C24"]

atoms_x:
AGsDAED+EQDgnwIAcOEIAFAFDwBQ0w4AIOYIAPCtAgCAb/z/sDIJALDLFQBwNwMAwF4EAPB0//8gsPj/ICD3/8B1/P9g7O//UNwAAICLCAAgEOn/wCr8/2A5+P+wpfr/ALTi/wBP3v/QUeP/UNDp/w==

atoms_y:
4GoPAPC1CQDAIQoAYB4JABAqDAAgORAAwHQRAKA4DgBgrQYAsMsVAKD/CgBg2w8AYA4UAHD3FQAAbxMAoBkPALBlDQDwcQwAoJ8aACD6DQBQ9RkAoGcbACARHwBwtSAAcOsXABA0GwAAJx8AgDkeAA==

atoms_z:
cN34/xBbCAAQqv//YHL7/7Ao+v9QWP3/AJABAEDCAgCgIgEAgO4EAODt9f+Q0e7/4Fbx/5Cn9f/glvf/EGn1/4AC8f+wIff/AMz3/3DT6f/QNfD/UAfl/6BZ4/8Q+d3/0Ifz/2Be9v9wU/b/kG7y/w==

atoms_u_iso:
ILkDACA2BACAqQMAgCYEAMBFBADgkwQA4JMEAGDYAwBAfgUAgBQHAIAOCAAgswQAwMIEACCzBAAA4gQAYNgDAICpAwBgzAUAwKQJAKBiBwBgxgYAwDMHAOB7CABA6QgA4PgIAGCWDgAg9A4AgAgJAA==

qdat:
AAAAAAAAACIKACgKCQCNEJCkzS6Hgon9d7796qenb70b+591c//v+///39+///////2/f///7/+//9/v/f/79/79//////7/////f+f91//3+/+7/6/17fk73zW16x9gnklFJgoAQAQAIAAAAAAAAAAAAAAAAAAAAAAAAA==


formula: I3 C14 S4
compound: <missing>
formula_title: C14H8S4I3
a: 19.831
b: 9.266
c: 14.515
alpha: 90
beta: 90.03
gamma: 90
cell_volume: 2667.189
crystal_density: 2.529
atoms_occupancy: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Structures of two dibenzotetrathiafulvalene (DBTTF) salts:
 (DBTTF)Cu(NCS)2 and a redetermination of (DBTTF)I3
 Sample: Compound 1

atoms_sites:
["I1", "I2", "I3", "I4", "I5", "C1", "S2", "C3", "C4", "C5", "C6", "S7", "C8", "C9", "C10", "C11", "S12", "C13", "C14", "C15"]

atoms_x:
IPAXAHBJGQCAmxYAgIQeABC8FQCQHxQAEJAUACDpFAAQJhUAwFwVABCWEwBwOxMAoGsSACDJEQCwGxEA0MoeAEAtHwCgzB8AID0gAAC3IAA=

atoms_y:
AAAAAAAAAAAAAAAAAAAAAAAAAACAhB4A4OIUAFDcGQBgUxUAEO8ZAICEHgDg4hQAcPgZAGBTFQAwCxoAgIQeALAnKAAgKyMAUNMnAKAFIwA=

atoms_z:
0JcBAHCqDQBQiPX/gIQeAGBWIQDQGwUA8O0IAEB0DwDAexQAUHgZAFBl//+QnPv/MCH1/+Aq8P8ATOv/MOYCAHCiBgAwJw0AMCISAMAFFwA=

atoms_u_iso:
IDwDAGDYAwBg2AMAAOIEAGBJBgBgYQIAYN4CAICvAgAgPAMAILkDAGBhAgDAzgIAYGECAEANAwBAigMAwM4CAIAsAwAA7gIAQIoDAKD3AwA=

qdat:
AAAAAAAQAAEAFAMAABAkBSKCQihADSKvUgZhiXasWtN7P5Ut3J2z1ebe63/63vvHs94dbu5+/fX///tbe16+uz+fPmvt93l9Td935V99y7xb/4Kb1+u/+92uvmDVTzTdyDpAgGWCAlAACAAAQAAAAAAAAAAAAAAAAAAAAA==


formula: Cu N2 C16 S6
compound: <missing>
formula_title: C14H8S4Cu(NCS)2
a: 8.390
b: 9.667
c: 12.699
alpha: 95.07
beta: 108.25
gamma: 112.50
cell_volume: 877.886
crystal_density: 1.801
atoms_occupancy: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Structures of two dibenzotetrathiafulvalene (DBTTF) salts:
 (DBTTF)Cu(NCS)2 and a redetermination of (DBTTF)I3
 Sample: Compound 2

atoms_sites:
["Cu", "N", "C", "S", "N*", "C*", "S*", "C1", "S2", "C3", "C4", "C5", "C6", "C7", "C8", "S9", "C10", "S11", "C12", "C13", "C14", "C15", "C16", "C17", "S18"]

atoms_x:
ADEVAGCCIgAwxCkAgDI0AKCOCACQlwAAsBr0/zC1OABwXjsAIHYKANChEACgVBoAwCYeAMBpFwCAnw0AMPMEACDjLgCAeywAULgfAOCYGAAwbA4AsD8LAOAmEgDgAxwAUEklAA==

atoms_y:
IOPj/2A75/9w7On/EBbu/+D03/9Ajd3/4M3Z/5DWAgBgWfv/8AsEAOA7AgCgiAkAcIwSAACbFABg7QwA8GUOAICo//9QNQcAEMn+//DSAABAEfr/8Jzw//Bd7v8gwvX/QAP0/w==

atoms_z:
YLQiAMDeKQBQJi8AoI02AEDhGgAg/BUAQNgPAKASJQDgEyoAkKMwAMAsNgDQNTsAgMM5AMAGNACwYS8AgOQnADAGHwDgKBoAkDgUAPBMDgDgJAoAcLwKAPAOEADgFBUAgBMcAA==

atoms_u_iso:
QIoDAICvAgAA6AMAYFUEAADuAgAA7gIAwM4CAGBnAQBg5AEA4CgBAKB6AwBgYQIA4BwDAECQAgDgpQEAQBMCAKCGAQBg5AEAAHECAGBhAgDgnwIAIL8CAIC1AQDgnwIAoAMCAA==

qdat:
AAAAAAAAAgAAgAEACBABAACBQAByAQAAgaAiQQAMYgCGmQkDZxQQkyoOaiNdOBMRkMdZkagW54o5pi992uj4W93urrk+s6+PfS9Xvav/3/9f/I6//83L/F31f+7z++/733/X7//y77/9zcx95/67/2t/zff2/v9983xeX9==


formula: U O6 C14 H10
compound: <missing>
pub_title: Structure of dibenzoatodioxouranium(VI)
formula_title: U(C7H5O2)2O2
a: 7.604
b: 17.408
c: 5.296
alpha: 90
beta: 95.81
gamma: 90
cell_volume: 697.433
crystal_density: 2.439
atoms_sites: ["U1", "O1", "O2", "C1", "C2", "C3", "C4", "C5", "H3", "H4", "H5"]
atoms_x: AAAAAODaDQBgf/3/AAAAAAAAAADAwgQAYNIEAAAAAAAAUwcAAOIEAAAAAAA=
atoms_y: AAAAAAAAAACAnQUAMMgHAHD7DAAAVQ8AQCQUAECVFgDACQ4AwFwVAICiGQA=
atoms_z: AAAAAADcBQBgARIAgIQeAICEHgDAVSsAoAcrAICEHgCAfTQAANQwAICEHgA=
atoms_occupancy: 0
atoms_u_iso: 0H4BACBCAgAgjQIAYMsBAPBoAQBAdwIAwOcCAKDLAgAA4gQAAOIEAADiBAA=
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAgAAQAAABAACQgAgCAAQQAQACSCAKAUghIMEgQQCYhCANWAATfBVqIYwIQOiMYMQMaUSFohKkic1PWAkiLMkikkuaUt8IWLkymL6r0oEUcpM5z2lxyTjI8NemCyTJNht0E5aTfhLJO/LU6LlsXIim5y0v8B==


formula: U O C21
compound: <missing>
pub_title: Structure of Tris(n5-cyclopentadienyl)phenolatouranium(IV)
formula_title: UC6H5O(C5H5)3
a: 8.331
b: 8.899
c: 23.337
alpha: 90
beta: 90
gamma: 90
cell_volume: 1730.149
crystal_density: 1.944
atoms_occupancy: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
atoms_sites:
["U", "O", "C1", "C2", "C3", "C4", "C5", "C6", "C7", "C8", "C9", "C10", "C1l", "C12", "C13", "C14", "C15", "C16", "C17", "C18", "C19", "C20", "C21"]

atoms_x:
CGkvAJCUJgDADiIA4IAcAOB0HgCAWiUA4LsnAIAMMgDgfzEA4Mw5AABxAgBgCzoAgDICAGBhAgAg/jYAwCsyACD+NgBA4h4A4P0cACDQFADAAw8AYAcRAKD2GAA=

atoms_y:
QKYFAGBs/P8gHggAwLAHAMCADwDA3xQAYA0QAKDHCwDA5RMAoBQUAOBjDACg5QYAQMD6/4A4AQCgkv//gPH3/2C19P8gB/f/ILru/6CZ6f/gKez/gAn0/2CX+f8=

atoms_z:
qMIIAADcBQBA/Q0AQMQKAPAfCQDQxQoAwAkOAMAGAgDwCwQA0BUGAMBxBQDAtQIAgBsKADDDDAAwAg8AIJYNAOC6CgBgBAUA4AQHALD5BQAgPAMAAHcBAOBtAgA=

atoms_u_iso:
YBECAAjwAgC43gQAwPMFAAB9BQA4zAUAEAUEAFijBACgQQUAwPMFAFh+BgDYkAUAmCwEABAFBAAQBQQAAH0FAFBpBQBYyAIAUI4DANB7BAAgVAQAKKIDAAjwAgA=

qdat:
AAAAAAAAAgAAAAAEABgEABAEhQCxYTBA0gHHBjnLEXgrLMfppnOn9uWmcx+Rtnp9+s8rvu3Zfs5+/++326+/N47fv/X39Je/f/ffz/Z7/23+5/773f/7v///f/v//3/3//v/nO38315v7eMcdv69vKNsqHF7r6jYw4QNet==


formula: Cl4 N6 C64 Ru
compound: <missing>
formula_title: C12H28N(RuCl4(C7H5N)2)
a: 15.627
b: 13.936
c: 17.319
alpha: 90
beta: 113.66
gamma: 90
cell_volume: 3454.657
crystal_density: 1.053
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Structural characterization of the RuIII benzonitrile complexes
 (Bu4N)[RuCl4(C6H5CN)2] and [RuCl3(C6H5CN)3]

atoms_sites:
["Cl11", "Cl12", "N1", "C11", "C12", "C13", "C14", "C15", "C16", "C17", "Ru2", "C121", "C122", "N2", "C21", "C22A", "C23A", "C24A", "C25A", "C26A", "C27A", "C22B", "C23B", "C24B", "C25B", "C26B", "C27B", "N3", "C31", "C32", "C33", "C34", "C41", "C42", "C43", "C44", "C51", "C52", "C53", "C54", "C61", "C62", "C63", "C64"]

atoms_x:

atoms_y:

atoms_z:

atoms_occupancy:

atoms_u_iso:

qdat:
AAAAAAAIAAkAARCwOEAhgwg+FIbGkt7kXPjzq64PsX83+e/+77+7///fz3/v//////v///9+////////////////f/3//3v////7///977/6+ffv2fZ+fMOerFshbjEBEkwQAERAAACAAAAAAAAAAAAAAAAAAAAAAAAAAA==


formula: Ru Cl3 N3.5 C24.5
compound: <missing>
formula_title: RuCl3(C6H5CN)3.0.5(C6H5CN)
a: 9.981
b: 10.895
c: 11.563
alpha: 80.86
beta: 87.60
gamma: 88.64
cell_volume: 1240.155
crystal_density: 1.475
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Structural characterization of the RuIII benzonitrile complexes
 (Bu4N)[RuCl4(C6H5CN)2] and [RuCl3(C6H5CN)3]

atoms_sites:
["Ru", "Cl1", "Cl2", "Cl3", "N1", "C1", "C11", "C12", "C13", "C14", "C15", "C16", "N2", "C2", "C21", "C22", "C23", "C24", "C25", "C26", "N3", "C3", "C31", "C32", "C33", "C34", "C35", "C36", "C91", "C92", "C93", "C94", "C95", "C96", "N9", "C9"]

atoms_x:
iP4KAKAC/v9A1gcAcDYYANAPBwBAAQUAoP0CAMBLAwBg5AEAYPD//0Al//8gywAAkK0NAIDkDgAgaxAAQLkQAGABEgCASRMAQCoTAODCEQCwJw8AIGURAOAzFACgkRQAoAIXAMDHGADAShgAgDcWAKCsHACg6hoAwBQhAAAEKQAQ1CoAAJ8kAIBVEQAgRxYA

atoms_y:
oBMVAIA2EgDwpBAAoEcYAMBrHwBAOyUAYJEsAOCXLQCA+jQA4MY6AGCOOQBAajIA8KYYAIAfGgAAWBsAAKsiAMCFIwCAih0AAHYWACBNFQCQvwoA0AIFAMBv/f/A+Pv/YLX0/8BG7/9gzfD/wBD4/0AM//8g/gQAQO8HAADiBABg9v7/YAj8/wCn+f9gCPz/

atoms_z:
EPoJAIDJBgAgyhUAcEwMAMCxCwBQ3wwAgOQOACDKFQAgQRcAIOIRAMAbCwBAZgkAgET//+BY+f8gqPH/AO/t/0C75v9AUOP/IOrm/8BM7v8QdAgAcIMHAKBoBgCgkv//IFr+/6D3AwCgUfX/YCUMALCiIABQIRsA0DIWACDEFgBgQhwAADQhAOCvKQBAuCUA

atoms_occupancy:
AAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AICEHgCAhB4AgIQeAICEHgCAhB4AgIQeAICEHgCAhB4A

atoms_u_iso:
YMUCAKD3AwDgkwQAwMIEAEANAwCALAMAYN4CAADiBABAfgUAAOIEAMBFBAAAawMAoHoDAGDYAwCAqQMAQH4FAABTBwAAUwcAAFMHAEB+BQCAqQMAQIoDAECKAwAA4gQAQH4FAMC2BgCAGgYAAOIEAMC2BgDAtgYAgIsIAADECQAAxAkAgBoGAMDrEgCAbQ0A

qdat:
AAAAAAAAASEAICQBAAIMRimhEAIOqQDWtIgHXFGyYqu8hdy3j7uxu+e/72fzNvf//33f/v//13/73//////f/b//+////////7f///+3/////////6/9//f+/37+z/V/7z5/12djneoELq4RCtCGAQCCAIQAAAQAAAAAAA==


formula: Tc S2 N2 C10 Cl O2
compound: <missing>
formula_title: TcC10H20D2N2S2OCl.D2O
a: 6.160
b: 26.727
c: 10.319
alpha: 90
beta: 96.89
gamma: 90
cell_volume: 1686.634
crystal_density: 1.487
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 {2,2'-dimethyl-1,1'-[(N,N'-2H2)-ethylenediamino]dipropane-
 2-thiolato-N,N',S,S'}-oxotechnetium(V) chloride monodeuterate

atoms_sites:
["Tc1", "Sl", "S2", "N1", "N2", "C1", "C2", "C3", "C4", "C5", "C6", "C11", "C12", "C61", "C62", "Cl1", "Cl2", "O1", "O2", "O3"]

atoms_x:
+FQNAEAmAwBwRQkA8G8EADDUBQDwmf3/cHP5/2BtAACQg/v/kBQBADBxCQCAZvH/0LgIAMCbFwBQAgMAEKAiACBCGwAQoCIAIEIbAECEHQA=

atoms_y:
eHY0ALhqMgAg+y8AgJc4AGBVNgAg0jUAICo4AHCvOgAgwDgAwB80AAA4MQCQ1jQAUPY2AHDMMQDgLS4AcBcAADBeOgBwFwAAMF46AODRNAA=

atoms_z:
6NMvAACGJACQ0DUAIPsqANAJOgBQcx4A4DckACBUMQCQxDcAoMsCAHBQAwAQqhgAQM4ZAJCmCgCw1AcAAJUVANAVBgAAlRUA0BUGACCSLwA=

atoms_occupancy:
AAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AgIQeAICEHgCAhB4AgIQeAAAJPQA=

atoms_u_iso:
QK8BADCbAgBQngIAwNQBAGDkAQCAMgIAwFECAMBRAgDgIgIA4J8CAGBhAgAAawMAgKkDAOAcAwBABwQAYFUEAGBVBACALAMAgCwDACC/AgA=

qdat:
AAAAAAABAAAgBAAGAUDAFJYWgDwAeYFeJgcSa2Ccl33HVY/Spaw/uHzh+v2S1d+q/vuVXvdW/ReP///TaFTt+/59Tleyv6+vp+9dvz/9//rX6+z7fbk+yt8r/e/5999v7by3+95nq3Pu/9ty9N/v3cRiq/f/X9vztv7695==


formula: Ru O9 N2 C10 H2
compound: <missing>
pub_title: Structure of aqua(ethylenediaminetetraacetato)ruthenium(III)
formula_title: RuC10H13N2O8H2O
a: 8.415
b: 8.831
c: 17.633
alpha: 90
beta: 99.66
gamma: 90
cell_volume: 1291.779
crystal_density: 2.032
atoms_occupancy: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
atoms_sites:
["Ru", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "Wat", "N1", "N2", "C1", "C2", "C3", "C4", "C5", "C6", "C7", "C8", "C9", "C10"]

atoms_x:
oAExAPAaJwCwwR8A8AoAAJBoDADAMBQA4DgPAEDvOQCwODoAYGYvAAB9MgDQmiYAMA4mAKBfLQCAvAQA4EcAAGBsFQBw4B0AMOA1ALAVKwCgwy0A0EIkAA==

atoms_y:
UNMTALDqFAAwwwwA4JEVAPCEDQAQBAoAQKIYAJDaEgDArBAAABUiAFCGBgCAgA4AsH4NAOC/BQBwww0A0AIFAMCmEQDgsBQAwKwQAAD3DQDgYAAA0OkEAA==

atoms_z:
KMcVANDyDwCwyAkA4NUSAEC5EADw8hwAQHcbACA8HACg5iMAcFUXABCvEwDgxBkAsEwNAPCwDgDQShIAIAgUACB0GwAQDhkAUNEfAHDaHgDQ4RYAgK4XAA==

atoms_u_iso:
OOAAAOB9AQAAMAIA+HkBAOA7AgAwKAIAANsBALA6AQDw1gEAyIsBAAAdAQBI/QAAIHABAICrAQDwdwEAEGwBAHBSAQBQVAEA4CgBAFBeAQD4eQEAYFgBAA==

qdat:
AAAAAAAAAAAAiIAABIBgACICUQHBgrIIoFCF0HsHYii7mB6FbyGhg3lf0rzfOb7X3W//yc9W/nT//fn/uv3//+vW99v3v3Z/+z/+f/33ds92++//7f/r/+/////9/3//9///3/f5/1v8/vv/a59dn+/mzpvLVXzx6NtC75==


formula: Ru3 As2 C45 O8
compound: <missing>
formula_title: Ru3(C12H15)(H)(C25H22As2)(CO)8
a: 30.385
b: 10.047
c: 14.402
alpha: 90
beta: 90
gamma: 90
cell_volume: 4396.615
crystal_density: 1.694
atoms_occupancy: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 The structure of 1,1,1,2,2,2,3,3-octacarbonyl-u-(1-3-n-cyclododeca-1,6,9-
 trien-1-yl-3-ylidene)-2,3-u-hydrido-3-[(As,As,As',As'-tetraphenyl)methylenebis
 (arsine)-As]-triangula-triruthenium(0)(3 Ru-Ru)

atoms_sites:
["Rul", "Ru2", "Ru3", "Asl", "As2", "C91", "C12", "C13", "C14", "C15", "C16", "C11", "C22", "C23", "C24", "C25", "C26", "C21", "C32", "C33", "C34", "C35", "C36", "C31", "C42", "C43", "C44", "CA5", "C46", "C41", "C1R1", "C2RI", "C3R1", "C1R2", "C2R2", "C3R2", "C1R3", "C2R3", "O1R1", "O2R1", "O3R1", "O1R2", "O2R2", "O3R2", "O1R3", "O2R3", "C1", "C2", "C3", "C4", "C5", "C6", "C7", "C8", "C9", "C10", "C101", "C102"]

atoms_x:

atoms_y:

atoms_z:

atoms_u_iso:

qdat:
AAAAAABAAAkgERGCYJSQzUrYJ/otk/r/73W7m8/e9v///7v8//97/z//v/9/+9/797/v+///7////////9/f/+//+/3/3f7/9f//73///////37/81vX9bXd0zGdZIR9JIhCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==


formula: Ti3 O14 C20
compound: <missing>
pub_title: Structure de Ti6(CH3COO)8(OPR)8O4
formula_title: Ti6(CH3COO)8(OPr)8O4
a: 9.361
b: 11.852
c: 15.791
alpha: 108.54
beta: 96.54
gamma: 106.07
cell_volume: 1556.435
crystal_density: 1.297
atoms_occupancy: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
atoms_sites:
["Til", "Ti2", "Ti3", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "O11", "O12", "O13", "O14", "C1", "C2", "C3", "C4", "C5", "C6", "C7", "C8", "C9", "C10", "C11", "C12", "C13", "C14", "C15", "C16", "C17", "C18", "C19", "C20"]

atoms_x:
oAwNACDFAQDw9Q8A8H0KAOClAQCgggoAQPoaALDjEQBg6BEAQMMGANC4CACAEjEAYMw3ADCNFQAQgQoAoDQXAMBqGwAgdw4A4LYTAOAULgDAWyoAAMMeAACHKABApigAoD0iAIAICQDgnSwAgLUBAOCAHABAdxsAgNclAABHCQCgMg8AAIw8AKAkOwBgFzgA4P4HAA==

atoms_y:
EFwMAGAI/P+g2QgA0C4GAEBZBwCwbRQAADARAEAHBABwWhIAAMUNAGCM//8AfwgAkH4AAOBDCQAA0g8A0BoBACDoEABArRIAQAYZAECcAACAFAcA4DkTAMBEGQDAPwUAwCEKAEB3GwCgZxsAQHcbAOB7CABgqAsAYCsLAKAOFQAgrBoA4LAUAEANAwCg0wkA4JkDAA==

atoms_z:
IKgjACAAJgBwbjAA4AYoAPA3HgBwpCcAkI4nAFClHgAgex4AYLEWADAjFgCAMRcAQGEOAIDuNgDgKDMAgK0sAPD9LwCg8BkAQAwYAKA3IwBAOyUAQI4sAECCLgCgFBQAIMoVACDVKACAWxAAgN0kAACYOgBgWwMAYI45AGCaNwCgJDsAoL82ACASCgDg8gkAYDEKAA==

atoms_u_iso:
kEwAAABLAAAwXAAAAEsAAOBHAAAAZAAAwF0AAGBUAACQZQAAcGIAAKBaAACgWgAAYFQAAHB7AACwgQAAcGIAAKBzAABgCQAAgAwAAGAJAACADAAA0AcAAIAMAADQBwAAgAwAAHAXAACQGgAAABkAAOAVAAAAGQAAcBcAABAnAADgLgAAcDAAABAOAABQFAAAkBoAAA==

qdat:
AAAAAAAQABAAgAYQABABSEAJAANAKCECEmYHAIjGdUHhAqP/wZTF1meG2eTe//oLvbh5bwz/936vV3//Ov/bu/z/P/f/l379d+zbz///1u/+33////39v/v93///+v/+v93//+/N+/917///93uvfb/O/+W+z/e/iv/q87==


formula: Ru3 P C29 O10 H
compound: <missing>
formula_title: Ru3H(CO)9(C2H3O)(C6H5)3P
a: 21.793
b: 15.945
c: 18.648
alpha: 90
beta: 99.45
gamma: 90
cell_volume: 6392.043
crystal_density: 1.753
atoms_occupancy: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Structure of (nonacarbonyl-1K4C,2K3C,3K2C)-u-(hydrido-2:3K2H)-u-
 (methoxymethylidyne-2:3K2C)-(triphenylphosphine-3KP)-triangulo-
 triruthenium(3 Ru-Ru)

atoms_sites:
["Ru1", "Ru2", "Ru3", "P1", "C1", "O1", "C2", "O2", "C3", "O3", "C4", "O4", "C5", "O5", "C6", "O6", "C7", "O7", "C8", "O8", "C9", "O9", "C10", "O10", "C11", "C21", "C22", "C23", "C24", "C25", "C26", "C31", "C32", "C33", "C34", "C35", "C36", "C41", "C42", "C43", "C44", "C45", "C46", "H"]

atoms_x:

atoms_y:

atoms_z:

atoms_u_iso:

qdat:
AAAAAAAAQCIIAQKA4JAGJsBGVybkjaJYu7Tvn2etP381+/zv/92//v7/+7+/Xf////7///2/n/6/v+/znX2K9xpmWxxiaCKEIIAgCAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==


formula: Li N2 C12
compound: <missing>
pub_title: (n5-methylcyclopentadienyl)(N,N,N',N'-tetramethylethylenediamine)lithium*
formula_title: Li(C6H7)(C6H16N2)
a: 11.238
b: 16.014
c: 14.522
alpha: 90
beta: 90
gamma: 90
cell_volume: 2613.457
crystal_density: 0.910
atoms_sites: ["Li", "N1", "N2", "C11", "C12", "C21", "C22", "C111", "C222", "C1", "C2", "C3", "C4", "C5", "C6"]
atoms_x: YO0MANBzBwCg7Q0AoFoAAOARCQBgnhUAsKMLAOCnCQCQegkAkI0KAFB2EQBw9xUA8NARAADXCgDgLwQA
atoms_y: cPASALCNFwBwxhkA4NYWAACPFgBALBsAQGoZAMDIHACwmx0A0JMKAMCxCwCgJQ0A0OsMAKBjCwBAnggA
atoms_z: gEQYAFA+EgDg/RwAMBwTAJBPDAAQxBwAsOEiAEDAEwAQCBoAkHcWAGBZFADw2BgAUMQdAOBOHABgLRMA
atoms_occupancy: 0
atoms_u_iso: 4KUBAMBXAQBgZwEAgDICAEATAgDgIgIAoIACAOClAQBAlgEAAHcBAIC1AQBg5AEAIMUBAECWAQBgYQIA
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAkEgASKGAkBFEIwwjLKuRgrwxrO1+x7ev9Qf/+8v//78/f///63////9//v/////3//97/+939////f//+/3f/9//9z/f99/2177f7/98f2OS9OAeoEClAAiAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==


formula: Co3 P2 O13 C45
compound: <missing>
formula_title: Co3(C2H3)(CO)7(C18H15O3P)2
a: 11.311
b: 11.541
c: 18.805
alpha: 99.61
beta: 103.21
gamma: 70.93
cell_volume: 2247.310
crystal_density: 1.459
atoms_occupancy: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Structure of 1,1,1,2,2,3,3-heptacarbonyl-1,2,3-u3-ethylidyne-2,3-
 bis(triphenyl-phosphite)-triangulo-tricobalt(0)

atoms_sites:
["Col", "Co2", "Co3", "P1", "P2", "O11", "O21", "O31", "O41", "O51", "O61", "C1", "O1", "C2", "O2", "C3", "O3", "C4", "O4", "C5", "O5", "C6", "O6", "C7", "O7", "C8", "C9", "C12", "C13", "C14", "C15", "C16", "C11", "C22", "C23", "C24", "C25", "C26", "C21", "C31", "C32", "C33", "C34", "C35", "C36", "C42", "C43", "C44", "C45", "C46", "C41", "C52", "C53", "C54", "C55", "C56", "C51", "C62", "C63", "C64", "C65", "C66", "C61"]

atoms_x:

atoms_y:

atoms_z:

atoms_u_iso:

qdat:
AAAAACAAACgGIAQCEIRIjFA0hRCS/xoWUU1wXW/9c+d1Ex/X3f+ffc/e/v/////9+/e+/v/7t/737////97/7+//+/f////3/7/f/3/////3f//vv97bv/3+v3uzwFbMBQghGIBAhAQAAEAAAAAAAAAAAAAAAAAAAAAAAA==


formula: Na S2 O3 C7 N H6
compound: <missing>
pub_title: Structure of sodium thiosaccharinate monohydrate
formula_title: NaC7H4NO2S2.H2O
a: 7.499
b: 26.895
c: 4.705
alpha: 90
beta: 90
gamma: 90
cell_volume: 948.931
crystal_density: 1.675
atoms_occupancy: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
atoms_sites:
["Na", "S1", "S2", "O1", "O2", "C1", "C2", "C3", "C4", "C5", "C6", "C7", "N", "O3w", "HC2", "HC3", "HC4", "HC5", "H1O3w", "H2O3w"]

atoms_x:
UOApAABkGQBgQjUAMG8aAFBKEADAEhkAkJURAKDJEwDQIR0AIIkkADCjIgBQMSkAYPMkAMA4GwAAuAsAoLUOAIABHwDAWyoAIDUZAICKHQA=

atoms_y:
4AYPAKAYCwDAzwYAkHsNAACGCwCgewcAsCsGANBAAwBwwAEAMBgDAPD/BQBQ/QcAwLcKACAtEgCAFAcAgDICAKCS///gIgIAgMYTAEAqEwA=

atoms_z:
kDMAAKBuHgBwtw8AcHMrAODuEgBQBSgAIMsyAECqOADQyTMAAOsoAEAVIwBQORcAQAsUAPATCwCAdzUAIDwDAKA8NwAAmSUAwMgDAAD5FQA=

atoms_u_iso:
AMIBADBWAQBAwgIAoLgBAEDhAQAgSAEA4PABAEBeAgBQOgIAgBkCANCXAQDAuwEAEJ4BAIAZAgCAhB4AgIQeAICEHgCAhB4AwBk1AMAZNQA=

qdat:
AAAAAAABAAAAAAAEAAAAAAAKAAEYxgMQqAgQkFIgDBCBFwD7hQsIXRrB6kowPaQQ0MgqeSlndewxnI1WIYR7VQp1d5dU8f78T7ebLU1xU7RWuzFD/79to9f+/dtd282XcZetf/d/u5J/3uv67+S985je0R3yvX/uueciIX==


formula: Pd Cl2 S10 C15 N5
compound: <missing>
formula_title: Pd(C3H3NS2)4Cl2C3H3NS2
a: 11.546
b: 17.749
c: 13.724
alpha: 90
beta: 100.91
gamma: 90
cell_volume: 2761.625
crystal_density: 1.800
atoms_occupancy: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Structure of tetrakis(2,3-dihydro-1,3-thiazole-2-thione)palladium(II)
 dichloride 2,3-dihydro-1,3-thiazole-2-thione solvate

atoms_sites:
["Pd", "Cl1", "Cl2", "S21", "S11", "S22", "S12", "S23", "S13", "S24", "S14", "S25", "S15", "C21", "N31", "C41", "C51", "C22", "N32", "C42", "C52", "C23", "N33", "C43", "C53", "C24", "N34", "C44", "C54", "C25", "N35", "C45", "C55"]

atoms_x:
4GUeADBgMwBQoggA+LklACAaIACY5yUAaIUrAJBKFgAwkRsAKKIXAKBIEgDwKjoAoJ4CANC5JQCQGCoAkB4pALD0IwCgzysAYFoxAGBbNQCg8DIAMAoWAECaEQDQfBIAkKMXABDtEQBAhgwAgKQIAEAPCwAgdjwA8DI8ADA9AQCwVgMA

atoms_y:
+DMGAKhGFgA4QxYAYCUMAPiLCABwtwAAiCUCAKC4CwAo+AcAsEoAAHBSAQCgtAoA8EsFAODNCwDAOw4AIK8NAPCvCgCQtv//ENX8/6By/P+wCv//8EULACCvDQCACQ0AIBIKALAK//8wEPz/oHj7/6AC/v+ANAoAwHMNAMAuDADQ8AcA

atoms_z:
KMQOAAgOCAAI+hYAQHwMACDC//+gkAsAgAcZAMj0EABYrR0AgPoRAEBrBAB4phgAuB8PAMD0BAAQNAIAoA78/0D4+f+wLhIAgLMSACBtGACgehwAQHAYAAAmGwBAUyEAAHMjANBbCwCg5goAgCAFAIAGAQAQ7REAsLANAKBcCABQYQgA

atoms_u_iso:
8D8CAOA1AwAwlQMAEEcDAHDsAgBwNwMA8BEDAOADAwCQIQMA0A4DAAAHAwDQngQAoDwFAOBUAgCArwIAQCYDAIAsAwCQcgIA8N8CAIBFAwDQiwMAIHQCAODqAgDwdQMA0HIDAJByAgDw3wIAcFADAKBhAwAgCgMAAAEEAPA9BADQ0AQA

qdat:
AAAAAAAAARAhAAYkCCEMoAxGpKYqJY3TpY3r/rPvn+75Y/3/j/G///7f3+//+/9+v3/9ff/3///73/////v////f/7/v9f//3////0//9//n/+b/N/9LOlev3o706rceUrBn2CNASJAiABAAQAAAAAAAAAAAAAAAAAAAAA==


formula: Cu S3 N4 C22 I3 Cl3
compound: <missing>
formula_title: Cu(C21H24N4S3)I3CHCl3
a: 31.869
b: 11.425
c: 18.215
alpha: 90
beta: 96.56
gamma: 90
cell_volume: 6588.719
crystal_density: 1.950
atoms_occupancy: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Structure of a copper(I) complex of a tripodal schiff-base ligand,
 {tris-[4-(2-thienyl)-3-aza-3-butenyl]amine}copper(I)
 triiodide chloroform solvate

atoms_sites:
["Cu", "S1", "S2", "S3", "N4", "N1", "N2", "N3", "C11", "C12", "C13", "C14", "C15", "C16", "C17", "C21", "C22", "C23", "C24", "C25", "C26", "C27", "C31", "C32", "C33", "C34", "C35", "C36", "C37", "I1", "I2", "I3", "C", "Cl1", "Cl2", "Cl3"]

atoms_x:
yLYmAJCPIQCIJyMAgL0hAIAEKwCgaicAYK8nANCBJgBA3ysAgCMqAKA+JgBwoyMAQH8iAODrHwBQOx8AUAYsAHD8KQDQ5SYAANEkADDoIwBg7CEAQFMhAAAqKwCgyCgAsAclAGDNIgBgPSEAEDUfAHA+HwDgBg8AGNsRAGCkFAAQbyYAUD8lANC3JwDYAyQA

atoms_y:
8G87AOCzBwAQ0AEAQMEwAHDhOgBA6QgAsCQ1AMD0NgAQVAUA0LIJAPB+DgDg1A4AoKoUABBkEwDQuQwAkH82AJA5MQCwXDQA0Ec4ALB8NwCwdzwAkJ4DAHB2NwDAGjkAwEQyABAgLwCwGyoA0K0nAIDSKgBYNAoAGH0VAOiCIQAAnRwAsPATAMBrHwDAWSIA

atoms_z:
UHQdAAjUGQAYEyUAmOcbAHDmHACA1R0AMNUiAHBVFwAQKB0AEMsfAMBkHABQQBoAoC4YAIBQFgCw9xYAUMsgAGDsIQBwqiYAcDooAFBqLACA+CwAEEQpABB4GADgRhUAsDUVANDIFgBAbxQAsN4WAEDhGgAAqw4AsAgLAOg9BwCgligA+NUnABDMIwDwISoA

atoms_u_iso:
QHcCAHh6AwBIjAMA4GsEAOicAgAohQIAyJ4CAKiqAgDABQMAmA8DAEjYAgAo2gIAMLcEABgaBQBwQAQAgL4CAEDWAgAg4gIAeMYCABhJAwDYtQMAOPEDAHglAwBYJwMAoBEDAGApAwCYLAQAMLcEADC3BAAw6QQA+AkDADhgAwDoGAQA4DMFAOAhCADIEgcA

qdat:
AAAAAACAACAEAUgYAANVcCDyRU2j8c5Z58eW/5t6f6u7fa7PPffP5fv/e797/nXO/tf9f//37/3/97vdu7159//f8/2f/O3/V1nKzrG6TKhoIkwIQQAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==


formula: Pd Br2 N8 C16 O2
compound: <missing>
formula_title: PdBr2(C7H8N4)2CH3OH
a: 9.153
b: 8.858
c: 8.317
alpha: 123.54
beta: 92.25
gamma: 109.31
cell_volume: 508.871
crystal_density: 1.966
atoms_sites: ["Pd", "Br1", "N1", "C2", "N3", "N4", "N8", "C5", "C6", "C7", "C9", "C51", "C71", "O1", "C10"]
atoms_x: AAAAAGBCAwBwUBwAIKoSAJB1DgDgwxUAcF0eAOB0HgCQXCcAoGonAHDeFQAQhh4AACUwACDX/v9AcgcA
atoms_y: AAAAACC4//8w7QUAUEYAABADBgDQthkAcGYQAGAxIwDQSCMAIP0ZAECHEAAQwi0AkBoZAIAHHgAAtyAA
atoms_z: AAAAAACe7v9gAA4AUHQJAEAnBwAgJQsAAPEOAICsDwDwxBMAMJkTAMDpCgCwUxAAcAQYAAAe+/+APgAA
atoms_occupancy: 0
atoms_u_iso: qPYBAIgfAwDQoAIAqLQCAMBHAgAwKAIAaA4CAMBRAgBIeQIAcGUCAOB6EwC4AwMA8FIDAJiECwCwpAUA
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Structure of trans-dibromobis(5,7-dimethyl-8H-[1,2,4]triazolo[1,5-a]
 pyrimidine)-palladium(II) methanol solvate

qdat:
AAAAAAAAAAAACAACAAAAAABAgIAAgAAMAIBgAQoAAACAEiCxBIEAQEAKQhlEAAy0QADDEpnSQUQBVQecAOYW4dBAWzjZCd2GUiFKqwxAX7TUCOS6Y6kVoxN7Rd17fuvq5B4q+bpM3hP1Z+luat/LP4tN+b/3/87/7/f9sT==


formula: C5 O6 Li H6
compound: <missing>
formula_title: Li2C10H4O8.4H2O
a: 4.586
b: 8.539
c: 8.525
alpha: 87.66
beta: 89.21
gamma: 89.80
cell_volume: 333.526
crystal_density: 1.683
atoms_sites: ["C1", "C2", "C3", "C4", "C5", "O1", "O2", "O3", "O4", "Wat1", "Wat2", "Li", "H2", "H3"]
atoms_x: YLgyAABlNgAQeQMAYDInACClMACgWx0AoMMUALBdOABQ0iMAQKUkAHArBQBgAA4AUHIaANDEHwA=
atoms_y: 4PABALAyCQAwMgcAUPwDALBzEwAQ/goAYP0BAKB5GACQRRYA8IEaAPDjEgDQgxUAoAkBALAqGwA=
atoms_z: sNk0APAfOwDwMQYAgEksAPArOQDQEiwAwIIXABAIMwAQngEAILcUAEBrHQCQ/ykA0FkcAEDOAAA=
atoms_occupancy: 0
atoms_u_iso: 0OgAANDPAABw+AAAcCoBAFD1AABwpwEAMDcCAEBkAQBASwEA4KUBAADbAQBwpwEAcK0AAMAsBAA=
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 The structure of dilithium dihydrogen 1,2,4,5,-benzenetetracarboxylate
 tetrahydrate (dilithium dihydrogen pyromellitate tetrahydrate)

qdat:
AAAAAAAAAAAAIAAAAgAAAABAGBAgIAAAAMgQBAIABAAcMCAYFQQlBAxiCAOYQMSAQcis1GMEGPYQbuoZS0AN6wvBP0CZ+A+g1+/yvg+X4HAh7X39brfzH4P//+7ufbb4v/Px1d57z/A8rd/fY//4E/7uSdWvcA6Xdva8tw==


formula: Co4 O2 N24 C30
compound: <missing>
formula_title: [Co(C2H4N2)(C3H6N2)(C4H8N2)][Co(CN)6].H20
a: 9.599
b: 15.344
c: 8.944
alpha: 100.47
beta: 113.93
gamma: 81.37
cell_volume: 1179.773
crystal_density: 1.357
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Structure of (ethylenediamine)(tetramethylenediamine)(trimethylenediamine)-
 cobalt(III) hexacyanocobaltate(III)monohydrate,-(+)589[Co(en)(tn)(tmd)]-
 [Co(CN)6].H20

atoms_sites:
["Col", "Co2", "Co3", "Co4", "O1", "O2", "N1", "N2", "N3", "N4", "N5", "N6", "N7", "N8", "N9", "N10", "N11", "N12", "N13", "N14", "N15", "N16", "N17", "N18", "N19", "N20", "N21", "N22", "N23", "N24", "C1", "C2", "C3", "C4", "C41", "C42", "C5", "C6", "C7", "C71", "C8", "C9", "C10", "C11", "C12", "C13", "C131", "C132", "C14", "C15", "C151", "C16", "C161", "C17", "C18", "C19", "C20", "C21", "C22", "C23", "C24", "C25", "C26", "C27", "C28", "C29", "C30"]

atoms_x:

atoms_y:

atoms_z:

atoms_occupancy:

atoms_u_iso:

qdat:
AAAAAAAgAAAAgogEAEAARAQQoJiDAIko0CRZoEDBsXOkdIvZRYTTt7dehO9r/JLzv7/pY/+vv/7rYfp1v2Iv2vsb2/9e597n//a9t+/d///N/37z+/9/+/9//+191/3399+36//v/x9vPsnef///93f/ynN6//vd47xbkd==


formula: Fe Sn F6 O6 H12
compound: <missing>
pub_title: Room-temperature structure of iron(II) hexafluorostannate(IV)hexahydrate
formula_title: FeSnF6.6H2O
a: 9.826
b: 9.826
c: 10.106
alpha: 90
beta: 90
gamma: 120
cell_volume: 845.013
crystal_density: 2.338
atoms_sites: ["Fe", "Sn", "F", "O", "H1", "H2"]
atoms_x: AAAAAAAAAABA6QgAADsLAMDrEgCg0wkA
atoms_y: AAAAAAAAAABgfAoA0GEKAGCcDQBgNwkA
atoms_z: gIQeAAAAAABg3wYA0EUXAOAVGQBgihAA
atoms_occupancy: 0
atoms_u_iso: wIkBAHhKAQAYPwMA2LUDAFijBABYowQA
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAQAAAAIAAQACAAAAQQAQABCCAAACQAEAAYgIADMCAIMAACQYAoigBYIAWIFSKDSAE0IBZgtFCC4TwBQgXGHphOQHIaOFVGxCrD4GjCxC0FmKsVIKjbHWXAdh0GYkiQKZ2NEPHkRT0LikoHAMNYqUQoR==


formula: Al Mg3 Pt2
compound: <missing>
pub_title: Aluminium trimagnesium diplatinum
formula_title: AlMg3Pt2
a: 11.802
b: 11.802
c: 11.802
alpha: 90
beta: 90
gamma: 90
cell_volume: 1643.868
crystal_density: 7.920
atoms_sites: ["Al", "Mg", "Pt"]
atoms_x: gIQeAICwOAAwmisA
atoms_y: gIQeACChBwAwmisA
atoms_z: gIQeACChBwAwmisA
atoms_occupancy: 0
atoms_u_iso: MEMAAKBBAACYJgAA
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAIAAAAAAAAAQAAAEAAAAAEAACAAAAEAAQAAAQAEAAAQAQAAEAIAAIAQAAgCAAIBAAIBAAICABAIAEBAAAQAQEAIEAECAEEAIEAAIAggACAAIBAAEAABAIAAAAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAA==


formula: Er5 Sb3
compound: <missing>
pub_title: Structure of Er5Sb3
formula_title: Er5Sb3
a: 11.662
b: 9.136
c: 8.007
alpha: 90
beta: 90
gamma: 90
cell_volume: 853.098
crystal_density: 9.355
atoms_sites: ["Erl", "Er2", "Er3", "Er4", "Sbl", "Sb2"]
atoms_x: oBAEADBDAACA6g0AIMkRAFDnEwBwGB0A
atoms_y: cIIDAEBCDwBAQg8AQEIPAOCSAABAQg8A
atoms_z: IKILAPASIAAgZzIAQAUVAGDxAwDATSQA
atoms_occupancy: 0
atoms_u_iso: UHgAANBrAAAAfQAAkH4AAIBwAAAQcgAA
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAABAIgEAIRAAgQDAQgCgCBBhHRZRhCQ2DJCVqhk51N9XR3PikI/WUqnXt3T/l++su/re7X7L299r/H/rv9de//////9///+//v/v//n//+73//33/vvr//+++3f//P/9+vX6+3p3/5s+f23/OHXujrPsf==


formula: Th B2 O5
compound: <missing>
pub_title: Synthese et structure du borate de thorium: ThB2O5 _cod_database_code 1001443
formula_title: B2 O5 Th
a: 11.545
b: 6.937
c: 10.263
alpha: 90
beta: 101.5
gamma: 90
cell_volume: 805.439
crystal_density: 5.503
atoms_sites: ["Th1", "B1", "B2", "O1", "O2", "O3", "O4", "O5"]
atoms_x: wBsLAIBqAQCAUBYAoEwTAOCbCwAQUCcAcKcBAEBxHAA=
atoms_y: 8D8MANBWEABA1wsAIMUBADBeCABwCA8AQPALAECrCgA=
atoms_z: oLYSAOC/HgBw5wcAQL4LAIAfMwDwFwIAgNwHAHB2BQA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAACEABEAAAAAACAUCgAAoCkgABCBEAAwhTCEGAQA0HEAgYoGVKFmiiJhgiMhphiT5pNlI+xZtPCU+01X1b7FXDOR81w1Pt68mWv7brqTjp/95/uJrF9atSw9u+FisXv2+UOOORV/N/R6d7FD+3Hnq0T==


formula: V P2 K O7
compound: <missing>
pub_title: Structure of KVP2O7 _cod_database_code 1001430
formula_title: K O7 P2 V
a: 7.3686
b: 10.0527
c: 8.1874
alpha: 90
beta: 106.580
gamma: 90
cell_volume: 581.260
crystal_density: 3.017
atoms_sites: ["V1", "P1", "P2", "K1", "O1", "O2", "O3", "O4", "O5", "O6", "O7"]
atoms_x: cFkOAPA+CAAwFBsAKCgyANDRCABQnBMA8Nj//6DLGwDw6hUAcBIFAJDnFAA=
atoms_y: ICAGAKChGAAoHBYAMOMKAMCKBQDQkgYAIE4AACAyDQCAKvv/oCwQAJDDGgA=
atoms_z: cPMPAAAoFACIsgsAaEAbAPDrAAAAWR8AQAQRAFC6DgCQaRAAwJkPAGBGEwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAABAAgQABAAADECACCCEABiEQIEBAeASUSYOAVBwAJYghZko4nVRYykmnxg28SbIKyzvm6T8qv8E+9/4t0//08d+/H+9651/vPYvvPt/3p//0TP/f/19//u/+f3+mx//8/t/v//rvfOd/7m/u/+/v6ff17==


formula: Nb9 P O25
compound: <missing>
pub_title: Redetermination of the structure of PNb9O25 _cod_database_code 1001529
formula_title: Nb9 O25 P
a: 15.639
b: 15.639
c: 3.8317
alpha: 90
beta: 90
gamma: 90
cell_volume: 937.151
crystal_density: 4.490
atoms_sites: ["Nb1", "Nb2", "Nb3", "P1", "O1", "O2", "O3", "O4", "O5", "O6", "O7"]
atoms_x: AAAAAOCgBgAwFhQAgIQeAFDQAgDAcw0A0IAJAEBoEQAwaRsAAKIXAAAAAAA=
atoms_y: AAAAACBLDQBgEQcAAAAAAOAEBwDQkwoAkK8VAACvAABQLgQA0BEPAAAAAAA=
atoms_z: 4J8CAAAAAAAAAAAAQEIPAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAICEHgA=
atoms_occupancy: gIQeAAAJPQAACT0AgIQeAAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQA=
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAEAAAIAAAAAgAQAAAABAYAgQAAwAEBBgQAIQAQAIIgBgEEKVJDChHCIMEAc1JwAEbAChcKhGAiIJEW0EkEEEEFWIAIQAgTCEAQgCCKQoEoEjkIAUCDEUCgEBRQAgAoIABETkBIERKgJAQIkCIEiBAACQAAAC0Y==


formula: Cu2 Al As O12 H12
compound: Roughton Gill, England
pub_title: Refinement of the structure of liroconite, a heteropolyhedral framework oxysalt mineral
formula_title: <missing>
a: 12.664
b: 7.563
c: 9.914
alpha: 90
beta: 91.32
gamma: 90
cell_volume: 949.289
crystal_density: 3.030
atoms_sites: ["Cu", "Al", "As", "O1", "O2", "O-H1", "O-H2", "Wat1", "Wat2"]
atoms_x: UP0HAAAAAABAQg8A4Ds0ABD/DgBAfQEAoIACADDEKQAAvQYA
atoms_y: uIoNAAAAAAAQygIAkOMEAGCVCgBw2gUA4KgNADBLBwCgCh4A
atoms_z: 0H4QAAAAAAAAAAAAcGIAAEBsCACAmAoAUFQ4AFDIFABgXAcA
atoms_occupancy: 0
atoms_u_iso: ENYAAHCtAABwlAAA0DMBANAzAQCwYgEA4CgBABDjAgDgCQIA
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAUAAIAQAAAACSECEAIQhCAABCAAYyCeAEJCEIAksIJBzOmqSLGHwhRSkPzFKbOOM9euCn2b+8x21lu+bV6vG/7z7ye+x6ny7/nPjeePevr7/MvaruF9Y5RbYKWfJ98ZvS531fW3TTpdIjSygyDazqCS==


formula: P3 Na N2 O10 H10
compound: <missing>
formula_title: H20 N4 Na2 O20 P6
a: 13.363
b: 11.580
c: 6.809
alpha: 90
beta: 101.87
gamma: 90
cell_volume: 1031.118
crystal_density: 2.023
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Crystal chemistry of cyclo-hexaphosphates. XV. Structures of sodium ammonium
 cyclo-hexaphosphate dihydrate and sodium rubidium cyclo-hexaphosphate
 hexahydrate
 _cod_database_code 1007193

atoms_sites:
["P1", "P2", "P3", "Na1", "N1", "N2", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "H1", "H2", "H3", "H4", "H5", "H6", "H7", "H8", "H9", "H10"]

atoms_x:
CEwVAGA3JwCAXR0AMEUNAHAQFgBAzhkAuPALAKBNDQAQ3BgAsEIDAHinEgDoVRIA0FUCACA9GwAw6hcAAPMWAEChFACAHxoAYHgTAEBmCQAgNgQAYDwdAKDlBgAAcBcAQN0KACCVCQA=

atoms_y:
uBwcANA+FADImw8A4FQMADAjFgAwfTkAAKAAAOCONgAwISIAyBo2ANBNLQAwciYAcB0OACBHLwAoEwsAUMn//yBHFgBg7xQAoBoTAIBlOABgWhgAoCo6ACCUHgCgvzYAoMAhAICWGwA=

atoms_z:
YO8KAEgKAwBwcQ8AUMQEACAHKQCQ8g4A8LUJALBpHQDQ6QQAoFcNANCeBACA8i0AsK8iAEA0IgAACQsA4DowAGBBMQAgzykAoDEkAEDPNgDgewgAoLsNACB3DgBgrgoAwNIrAICPMQA=

qdat:
AAAAAAAAgAAAgAAAgA4BAQAAwCYAIAkMmYgQbgUUhs0OwAhhpqUcHMp59FHe4Rr1n6/n0O+7v9/CX9/07X/zv6P3f93f9H/Xq7/+/t/lXv/+/z//t+/3l+X3/1v3//2v/+v+fqnvvz+nZCV/+n6T37te/dlu79/2v+f/n8==


formula: Rb P3 Na2 O12 H6
compound: <missing>
formula_title: H12 Na4 O24 P6 Rb2
a: 7.532
b: 9.752
c: 8.730
alpha: 113.92
beta: 102.29
gamma: 85.00
cell_volume: 572.729
crystal_density: 2.449
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Crystal chemistry of cyclo-hexaphosphates. XV. Structures of sodium ammonium
 cyclo-hexaphosphate dihydrate and sodium rubidium cyclo-hexaphosphate
 hexahydrate
 _cod_database_code 1007194

atoms_sites:
["Rb1", "P1", "P2", "P3", "Na1", "Na2", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "O11", "O12", "H1", "H2", "H3", "H4", "H5", "H6"]

atoms_x:
6NsOAOCTBABAPS0AUNMOAICqIADwOAkAAGMuAKDj/v/APwUAcI8FAEA9FACA2jEAkDwkAEB/CQBgiSUAcE4UAPCiIQAA0QsAwOsSAEAGGQBA6B0AQJUWAIB5CwCAiwgA

atoms_y:
QDAXAOC2DgBY5TUAYNgwAHB5EQDQeDQAwB4wAFCzJACQegkAEAI0AOCtOgDAWDcAEDkvAKAULQCwmBEAkDU6AFB/HACg8yUAoAkBAKAJAQCA3SQAoCslAKBDIQBAxCMA

atoms_z:
qNMzAMBkCAA4xSUAUNUHAGCDDQAgCyAAQEA5AJAsLwDw9Q8AQDgAAJBvDwCwzR0AIMciAHCqDQDA9ToAcB0xABCDKwBwryEAwBM2AEBwMQBAlRYAwHQRACCmGwAAmSUA

qdat:
AAAAAAAAAAACAIQAAAEAAoAEAABEEABICSAMBIwAQAqAocwwCREAkGjoQhyQIli0kYM9AA1x7lDh7CXY7heu17xy8o8w6Lor8/9L62P2bzP9i1zyVjvn/d+09Wv9+vV733f//7rrb79l/9/7bf/91/rvvfkfb//bb/Tc/3==


formula: K Ti3 P6 Si2 O25
compound: <missing>
formula_title: K O25 P6 Si2 Ti3
a: 8.2648
b: 8.2648
c: 17.03799
alpha: 90
beta: 90
gamma: 120
cell_volume: 1007.891
crystal_density: 2.718
atoms_sites: ["K1", "Ti1", "Ti2", "P1", "Si1", "O1", "O2", "O3", "O4", "O5"]
atoms_x: VVgUAFVYFACrsCgAWFkXAAAAAABgQwcAQKIxAAAzHQAAAAAAMG8BAA==
atoms_y: q7AoAKuwKABVWBQAsDsUAAAAAADwkCQAYKkPAKCqFAAAAAAAYLgyAA==
atoms_z: QEIPACCJAQBAQg8AMLoGACiqBQAQ0QUAAO4bABBiCwAAAAAAALcHAA==
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Structure of mixed-valent titanium silicophosphates, K Ti3 P6 Si2 O25
 and Cs Ti3 P6 Si2 O25
 _cod_database_code 1001857

qdat:
AAAAAAAAAAAAIACBAAAQAAAECIAASJACAAkIBASSCAFBJFAiAYKIxUQJIZVBAsGVog8sYUDESXQEk6IPE3IcFSBh27F6YwSU+DFgCqrRpeRRZBWxiSvBd2OW5xqHK6euTl6b6i6YqiEuVeJxapdNOmdG3p/5/ReZ6RFpnp==


formula: Cs Ti3 P6 Si2 O25
compound: <missing>
formula_title: Cs O25 P6 Si2 Ti3
a: 8.2145
b: 8.2145
c: 17.24899
alpha: 90
beta: 90
gamma: 120
cell_volume: 1007.991
crystal_density: 3.026
atoms_sites: ["Cs1", "Ti1", "Ti2", "P1", "Si1", "O1", "O2", "O3", "O4", "O5"]
atoms_x: VVgUAFVYFACrsCgAAGsXAAAAAAAwAAcAgCsxANA6HQAAAAAAYLIBAA==
atoms_y: q7AoAKuwKABVWBQAcDUUAAAAAABgKyQAEBgPAMDfFAAAAAAAIMsyAA==
atoms_z: QEIPAEhmAQBAQg8ASLEGAMCZBQCghwUAgMgbANBbCwAAAAAAMK8HAA==
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Structure of mixed-valent titanium silicophosphates, K Ti3 P6 Si2 O25
 and Cs Ti3 P6 Si2 O25
 _cod_database_code 1001858

qdat:
AAAAAAAAAAAAQACAgAAgAAAEIEAAYEgBACCQEAQsBAIgUhBBEIKiIsFAVKJQSa2CcLSWmRUiyDihelRLuExS2khIeWbL7GE8HK1UBZixjFZ24oY9SioyLlb6WbLRJROu9rjreqL50aIWNdkao2SrcduqlvV7T6iet0UYtx==


formula: Fe Sb2 S4
compound: <missing>
pub_title: Structure du sulfure de fer et d'antimoine, FeSb2S4 (Berthierite)
formula_title: <missing>
a: 11.401
b: 14.148
c: 3.758
alpha: 90
beta: 90
gamma: 90
cell_volume: 606.170
crystal_density: 4.686
atoms_sites: ["Fe1", "Sb1", "Sb2", "S1", "S2", "S3", "S4"]
atoms_x: CFMTAOjSCACgXQIAsO4LAMDBGQDApQ0AoIAbAA==
atoms_y: 4G8UAJjXAwCYhxcA4H0QACA+CwCQLh4A4LEYAA==
atoms_z: QEIPAEBCDwDAxi0AwMYtAEBCDwBAQg8AwMYtAA==
atoms_occupancy: 0
atoms_u_iso: YNEAADDZAAAArwAAUMMAALDMAACAuwAAgLsAAA==
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAABAAAIBAAACAAAABCAAAIRCFEACQIAgKAaQkBAQQAB2AiDYED2UgCKQsqJIwlki5APRz+KJkHnQJJdLe09AtQc68UtgcnBHluAMN2gYJM5Nw4Dgc08HIDEVgHLoCDFEF4ISfZQYDTlkGYMGQGTQIhwCgB==


formula: Mo2 P3 Tl O13
compound: <missing>
pub_title: Stucture of beta-TlMo2P3O13 _cod_database_code 1001463
formula_title: Mo2 O13 P3 Tl
a: 9.7536
b: 19.0640
c: 6.3945
alpha: 90
beta: 107.099
gamma: 90
cell_volume: 1136.454
crystal_density: 4.075
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
atoms_sites:
["Mo1", "Mo2", "P1", "P2", "P3", "Tl1", "Tl2", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "O11", "O12", "O13"]

atoms_x:
sOwDAOCuJQAw8BEAoJ0SAIDm/f9gsgEAgNMVAGAfDQAguQMA4BwDAEBmCQDgyfv/ALP3/4DpIgBANSYAIOclAMCoMgDgFRkAQKYoAECtEgA=

atoms_y:
mO8JANjUFgCA/CMAwGQcAODPEwCQAQAAYLQJACDODACgbwkAAEcJAJDpAwCwDg8AcIkGAECzEQCAtBYAUGUYAKBsFgAg0RgAgIodAMDuHgA=

atoms_z:
oMoXAABtCwAgORAAUHgAANAGFQCQIP//cIgCAADVGwDgkwQAYGsqAIAfGgAABRQAgFURAOBpCwDAGTUAIBceAECzEQDAwgQAwCcJAEDLDQA=

atoms_occupancy:
AAk9AAAJPQAACT0AAAk9AAAJPQCAhB4AgIQeAAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQA=

qdat:
AAAAAAAAAAAwEAACAAgAoAkTCkABICAFMjbFgUhlyAYFl48VAqyWPGv730d95w1n/2Rqe+V+zHXrinfdP27Ld/r38/95v3m/+u3D+39udb/W6v3PvO1v/v+7uy6v72vT9Xb5ebxuq3/99783Gq7ve2Pdi0//7X+p4qvu9m==


formula: V P K O5
compound: <missing>
formula_title: K O5 P V
a: 12.7640
b: 10.5153
c: 6.3648
alpha: 90
beta: 90
gamma: 90
cell_volume: 854.266
crystal_density: 3.126
atoms_sites: ["V1", "V2", "P1", "P2", "K1", "K2", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10"]
atoms_x: KJQHAJApDwCwAwsAQNT//+A6FwCwPBgAcNQGAAC9BgDAjwAAYBwBAADeDQCgcA0A8FsYAKAZDwCwrgUAUJsPAA==
atoms_y: QEIPAJhYHgCQQw4AcMcdAMBwGgAg8woAsIQMAOAAEACwehYAUDsGAIBMBgAgmBUAoHocAJCzJQDwzR4AEA0VAA==
atoms_z: oMT//+DIEAAAXx4AkEIKAECuLwAQjgwA4KMSACDoKQBgsgEAgJX+/9CW/f/gCQIA4OYLANBGAgDQ+RIAEJgbAA==
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 KVPO5, an intersecting tunnel structure closely related to the
 hexagonal tungsten bronze
 _cod_database_code 1001464

qdat:
AAAAAAAAAAAABAAAIAAQhEAQAJEQAACyBA4aDB+JCB4hIaVMESfjt9Q2wSqf9Rmo2nvz2a3v+k8H9t/ap9//0v3/f+/9fuq1//Wu//7vvX3/67f9/tvv/d0++3/v//1z93332//ex/9+9/9Pl07Y37Zu+1/v9q/302/33f==


formula: Cu P3 O13 N H12
compound: <missing>
formula_title: Cu2 H24 N2 O26 P6
a: 7.413
b: 9.334
c: 9.634
alpha: 116.23
beta: 107.98
gamma: 83.1
cell_volume: 568.657
crystal_density: 2.281
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Crystal chemistry of cyclo-hexaphosphates. XI. Structure of
 ammoniumcopper cyclo-hexaphosphate octahydrate
 _cod_database_code 1007195

atoms_sites:
["Cu1", "Cu2", "P1", "P2", "P3", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "O11", "O12", "O13", "N1", "H1", "H2", "H3", "H4", "H5", "H6", "H7", "H8", "H9", "H10", "H11", "H12"]

atoms_x:
AAAAAICEHgDAlgMAADIyAHDRLACQgQwA8KEEAIBLAgCQ3DMAoIoqABBhOQDwISoAoKchADCCNABwiw4AMIUOAJD3IgBgCRkAgOsRAEAqEwBAyw0AYLIzAMCSDADg0yMAIO0kAEChFADg8R4AwIAPACDiEQDgIRcAQNEMAA==

atoms_y:
AAAAAICEHgAgRy8AIC0NAJhVNQDgFjYAEMYkAEDBMABguDIAYJ4VALCdDABAigMAoOkvAGAvNADAwzoA8AYiADATIQAAVAsAED8VAAAzNgDgVTgAwKkdAGCbIgAg4SYAIB0dAKBoBgBgsjMAAFgbAECzEQCAPRUAQCoTAA==

atoms_z:
AAAAAAAAAABwYRUAEM0TAJivCABw8RYAwAMPABCyHwDwnhEAkPQWAOCPDQCggw4AIOsDAKCAAgBAhQgAsGgAAKC7DQCg/h8AQN8SAKBuBQDg5gsAYNgDAABfBQAg4hEAoDIPACAXHgBA9BsAoA4VACDEFgCAVREAIH0NAA==

qdat:
AAAAAAAAAAAAGABAAAACAIQAAoAAgKAAHAAEAMhUCAEAVAGEYimEFGEBSSLOAgGRVqqiUmV0AAfzH+JRB81NTaoV98aElnv7m92rk1Wqls99p/+W/f83v6H+17vzu/3n/Vv9/q1e95r3+fv7PvfV/6v/ffO3z6/9X/3+3W==


formula: Ag2 Li P3 O10 H2
compound: <missing>
formula_title: Ag4 H4 Li2 O20 P6
a: 8.408
b: 7.602
c: 7.566
alpha: 107.47
beta: 106.09
gamma: 72.64
cell_volume: 430.836
crystal_density: 3.682
atoms_x: MI0kADDoAABAjSgAYKUsANBcNwA4FykAcOgkAADaLwAg7igAcJU2ANBQKgCARiAAsMYzAADuNACQ9TMAEG8NAID2CwDAVSsA
atoms_y: 2I8aACBRKgCghCsA4HguAJCVEQCAsQoAoBQtAKCPJQBAbDoAMOsvAIBtDQDgwhEAUIcKAFD4DACAOR4AsHwFAIA4AQDA7zsA
atoms_z: eGkUAIBIGQCwSgUAgPgsAPAYBgDAMC0AYFQyACCuIgBAVSkAgAc3ACDgIgAArzIAQFI2AOCJDgAACAcAUFEsAED/LgDA6xIA
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Crystal chemistry of cyclo-hexaphosphates. XIII. Structure of silver
 lithium cyclo-hexaphosphate dihydrate
 _cod_database_code 1007196

atoms_sites:
["Ag1", "Ag2", "Li1", "P1", "P2", "P3", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "H1", "H2"]

qdat:
AAAAAAAAAAAAAIBAAEAAABAIAACIAGAAAgAwQQAMgAEFEEuAIgwhEIGBIBQ+AwAqEGaGBBwwdgcCWZ9wqh0ja1Z9m4TxWui9GF35pbvFx+Hsv+Lr5+n/2t/pnX/x4G/Pv37/u+L//fpf+f8O/9/v93vO/v+P7v3d/+T//7==


formula: Ca Al F5
compound: <missing>
pub_title: Refinement of the room-temperature structure of alpha-CaAlF5 _cod_database_code 1000300
formula_title: <missing>
a: 8.712
b: 6.317
c: 7.349
alpha: 90
beta: 115.04
gamma: 90
cell_volume: 366.430
crystal_density: 2.937
atoms_sites: ["Ca", "Al", "F1", "F2", "F3"]
atoms_x: AAAAAAAAAAAAAAAAILIAAFCKLwA=
atoms_y: ABshAAAAAADggTkAkMErAODyOwA=
atoms_z: QEIPAAAAAABAQg8AEG47AGAjNgA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: ["Ca", "Al", "F1", "F2", "F3"]
atoms_aniso_u11: oHMAAEBqAABwQwEAcFwBAGBtAAA=
atoms_aniso_u22: UHgAADBcAADgqwAAIGcAALB7AQA=
atoms_aniso_u33: QGoAAKBaAADQhAAAILIAAHAqAQA=
atoms_aniso_u12: AAAAAOD8//8AAAAAYAkAANDu//8=
atoms_aniso_u13: cDAAAFAtAAAQiwAAIJkAAFAtAAA=
atoms_aniso_u23: AAAAAJABAAAAAAAAoPb//wAAAAA=
qdat:
AAAAAAAAAAAAAAAAAAAAAQAAAAEAAEAEAQAACAAAAAMQACAAAgAMAgAECCAQAAEyAAIAYFAcIMAIQAwGAIFAiseACkJKgEIAQS1kiBvsIJQEYCbYZMIoDHfBGBLEExN4kIfGWmAIa/A0JoTbFdbx+SD0IX2pRKz7rwhIfD==


formula: Te3 Rb6 P6 O40 H26
compound: <missing>
formula_title: H26 O40 P6 Rb6 Te3
a: 11.222
b: 8.077
c: 11.731
alpha: 111.11
beta: 104.66
gamma: 83.25
cell_volume: 959.238
crystal_density: 3.025
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Crystal chemistry of cyclo-hexaphosphates. XVI. Structures of potassium
 cyclo-hexaphosphate ditellurate trihydrate and rubidium cyclo-
 hexaphosphate tritellurate tetrahydrate
 _cod_database_code 1007197

atoms_sites:
["Te1", "Te2", "Te3", "Rb1", "Rb2", "Rb3", "P1", "P2", "P3", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "O11", "O12", "O13", "O14", "O15", "O16", "O17", "O18", "O19", "O20", "H1", "H2", "H3", "H4", "H5", "H6", "H7", "H8", "H9", "H10", "H11", "H12", "H13"]

atoms_x:

atoms_y:

atoms_z:

qdat:
AAAAAAAAADAAABAICAAKAACFAAADB0GBGoIAmAGcCSlANNh0SRvNQrBu2Hb6Hp1kM82PXkuOv+WW+8v//Y2/9f/v+/X09/+/H/2//er373//z///+//+7ff7r/v/93/+v77fZ+/r//v93ev+7907Nf/u+/fv39v+97zfXv==


formula: P3 O9 N4 H11
compound: <missing>
formula_title: H22 N8 O18 P6
a: 8.175
b: 7.926
c: 8.457
alpha: 105.05
beta: 102.08
gamma: 86.42
cell_volume: 517.439
crystal_density: 1.951
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Crystal chemistry of cyclo-hexaphosphates. XVIII. Structures of
 ethylammonium cyclo-hexaphosphate tetrahydrate and hydrazinium(1+)
 hydrazinium(2+) cyclo-hexaphosphate
 _cod_database_code 1007198

atoms_sites:
["P1", "P2", "P3", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "N1", "N2", "N3", "N4", "H1", "H2", "H3", "H4", "H5", "H6", "H7", "H8", "H9", "H10", "H11"]

atoms_x:
QJURALhHAACQfQsAMKIFAKCKEQDAuwEAAE4lAEAkFABwPwoAsGk2AGCmNQCAHRIAwOwvAPA6EQDg9BEAsOchAOBRDwDAxi0AwA03AADmLQAAHCUAwP0PAEDLDQBglg4A4DMUAAClIwBgsx4A

atoms_y:
QFAzAGCwEgCgbAIAYBUwALAEAACgCwkAELUSAPCbNwCQLBYAYLIaACCIBwAwWAkAwOAxAKD1FABwTCUAQAsUAGDMBQAAyDIAIJ8xAKC6IgDAZygAAHwVAGAYIwBAFysAwJcgAOBLEADAehAA

atoms_z:
eN8gADhmKgCAvzMAsOYdAGCdKgBgyi8AYDsZAODKGABwZikAcI0vAPBXCABgpf//IHgrAKBgGABgWv//MF02ACBTFAAgnzEAYNwsAACNJwBAxCMAgAceAKD9AgCAXzkAAC03AGBBMQCAXzkA

qdat:
AAAAAAAAAAAAASAAAABAIQAAAAQIAEQEEQAEFCAIEkIjDBRCGAAIIQzCWIBoFYy0lFJYUOVUJzc8A8kfKxxjJvsuuW3CezO/09MfYszTfe/F7/exd/v3n/3q36/6273/7fv/3e91V//1d/+/9nXvve//7/973/e/0/1+9/==


formula: (Mg1.08 Co.92) P2 O7
compound: <missing>
pub_title: Structure of a cobalt magnesium diphosphate: (MgxCo1-x)2P2O7 _cod_database_code 1001465
formula_title: Co0.92 Mg1.08 O7 P2
a: 6.977
b: 8.330
c: 9.032
alpha: 90
beta: 113.74
gamma: 90
cell_volume: 480.507
crystal_density: 3.517
atoms_sites: ["Mg1", "Co1", "Mg2", "Co2", "P1", "P2", "O1", "O2", "O3", "O4", "O5", "O6", "O7"]
atoms_x: kLssAJC7LADQwjAA0MIwAPDlAQDw/hoAcDoPAHAeAwBQfzUAgPn+/yAdHQCgyhcA8NUlAA==
atoms_y: 2EsEANhLBABw8hoAcPIaAMDXDQAATxAAEPoTAICuFwAgIBAAoIcFADCUGADAtgYAUM0PAA==
atoms_z: ELIGABCyBgBYkwoAWJMKAOCFHADw3A8AACcGAKAuGABQ6QIA4BQVAOBTFwCwKBMAUGIMAA==
atoms_occupancy: gPUgAIATHACA9SAAgBMcAAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AA==
atoms_u_iso: 0
atoms_aniso_label: ["Mg1", "Co1", "Mg2", "Co2", "P1", "P2", "O1", "O2", "O3", "O4", "O5", "O6", "O7"]
atoms_aniso_u11: IGcAACBnAACwgQAAsIEAADBDAAAASwAAkEwAACCAAADgeQAAUF8AAJCXAAAA+gAAsE8AAA==
atoms_aniso_u22: kGUAAJBlAABwYgAAcGIAAJBMAACwTwAAwNoAAEBqAABgbQAAcHsAAABLAACQZQAAYG0AAA==
atoms_aniso_u33: 8G4AAPBuAABAnAAAQJwAACA1AADQUgAA8IcAACBnAADAdgAAQFEAANBSAABgTgEAEHIAAA==
atoms_aniso_u12: gPP//4Dz//8AAAAAAAAAALAEAACA8///kAEAAPDx//+A8///4BUAAOD8//+Awf//YAkAAA==
atoms_aniso_u13: MCoAADAqAACwTwAAsE8AAHAXAADAKwAAcOX//yAcAADAXQAAIBwAAAAZAABw3wAAoCgAAA==
atoms_aniso_u23: gPP//4Dz//8AAAAAAAAAAPAKAACQ6P//YPD//8ArAACg9v//gNr//zD4//9A7f//cP7//w==
qdat:
AAAAAAAAAAAAAAAAIBAACAAAAYAEYAgABAA6AEABgcAIAkAgDQvDRMCxMgAQumgx8iBVVAdKiGYnk3Efrw27lSuPDt1ewDV98LPTjdoO3Z+073nrrdvf7dXt3/V8+r7//X//+7f/v76///y+723d+X9/qPd7Zv23tfb59X==


formula: Sr Co P2 O7
compound: <missing>
pub_title: Structure of SrCoP2O7 _cod_database_code 1001466
formula_title: Co O7 P2 Sr
a: 5.3165
b: 8.2574
c: 12.6755
alpha: 90
beta: 90.133
gamma: 90
cell_volume: 556.459
crystal_density: 3.826
atoms_sites: ["Sr1", "Co1", "P1", "P2", "O1", "O2", "O3", "O4", "O5", "O6", "O7"]
atoms_x: sGYRAOD8MQDArS0AICcTACBSKQCAxSgAIOw5AGDQLgCg2B0AIK0FAOBjDAA=
atoms_y: ALQUAPAGCQCgrSAAUDAMAFD0FQAghhgAQEAHAFDqBgDwwAMAoF8UAOA3CwA=
atoms_z: uP8QAOiEBgBAFQoAIOA7ALBLCQDwdBgA8EAQAFCFGwBw3REAgNscAFCMBQA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: ["Sr1", "Co1", "P1", "P2", "O1", "O2", "O3", "O4", "O5", "O6", "O7"]
atoms_aniso_u11: wF0AAECDAAAgTgAAEFkAAMDaAABgbQAAYG0AAOCrAACgjAAAoA8AAGBtAAA=
atoms_aniso_u22: 0IQAAJBlAABgVAAAYFQAAIA+AAAgywAAwF0AAECcAABgbQAAIMsAAOAoAQA=
atoms_aniso_u33: gHAAAOBgAAAASwAAECcAAIC7AABgbQAA4C4AAGBtAAAA+gAAQJwAAOAuAAA=
atoms_aniso_u12: IAMAAHD+//+wBAAAMPj//2Dw//8AAAAAINH//+Cx//9g8P//wOD//4DB//8=
atoms_aniso_u13: kAEAAGDw//9ABgAAcBcAAEAfAAAg0f//oA8AAGDw///gsf//oA8AAEAfAAA=
atoms_aniso_u23: wBIAAKD2//+ADAAAAAAAAAAAAACgDwAAoA8AAECi//9AHwAAQB8AAGDw//8=
qdat:
AAAAAAAAAAAAAAAQEAACBAAEBKCBCAIAQwQMQAEoGOTSCIxGMGKcIoVqVYE1UoGa7M8pfwZU4O2WUzvns3H+G/ud7y5rdyu1f3O/rX/u/q/j/9b6vWvrX+f7t/r8+/zvvenxfr703bbu//t2/475v/bvzlF++Pv31+98//==


formula: Mg U2 As2 O16 H8
compound: Talmessi mine, Iran
pub_title: Structure of Mg[(UO2)(AsO4)]2*4H2O
formula_title: <missing>
a: 18.207
b: 7.062
c: 6.661
alpha: 90
beta: 99.65
gamma: 90
cell_volume: 844.338
crystal_density: 3.596
atoms_sites: ["Mg", "U", "As", "O1", "O2", "O3", "O4", "O5", "Wat6", "Wat7"]
atoms_x: AAAAAIC3DgCQswwA4LAUAMCqCACguw0AoGIHAKC1DgAA5xgAgMf+/w==
atoms_y: AAAAAAAAAACAhB4AAAAAAAAAAAAAAAAAgIQeAMBhKQAAiBMAQP8uAA==
atoms_z: gIQeACDTBwCgyRMAwJIMACA8AwCg5BsAAIIUACCPCgCAExwAgN4PAA==
atoms_occupancy: AAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQCAhB4AgIQeAA==
atoms_u_iso: 4AkCAKBUAQBQ1gEAsHUCAADVAgDAPgEAALIMAAANAgCwjgIAsEUKAA==
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAACAAAAgAAAAIA4AAAAAGIBCCAiECEABCEEBBGBkgEZAQEKKhI6NFAj0EKOBOMkygKFQq/HAc+SCyHaCqbGvOkHChrbWySrguPTAnnfMLVM5VzW1dnT7EkHy0ivXvrE7nesB5ytvM7qf37vtJtPbkyNO3XCl4==


formula: U6 Bi K9 O24
compound: <missing>
pub_title: Structure de K9BiU6O24 _cod_database_code 1001509
formula_title: Bi K9 O24 U6
a: 8.631
b: 8.631
c: 8.631
alpha: 90
beta: 90
gamma: 90
cell_volume: 642.959
crystal_density: 6.129
atoms_sites: ["U1", "U2", "Bi1", "K1", "O1", "O2", "O3", "K2"]
atoms_x: gIQeAAAAAACAhB4A4B8PAICEHgCAhB4AQDYRAAAAAAA=
atoms_y: AAAAAICEHgCAhB4A4B8PAAAAAAAAKQ4AAAAAAAAAAAA=
atoms_z: AAAAAICEHgCAhB4A4B8PAMCADwCAhB4AAAAAAAAAAAA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: ["U1", "U2", "Bi1", "K1", "O1", "O2", "O3", "K2"]
atoms_aniso_u11: MD2hAHB5dQAYAc0AQINZAfiLcAGIekIBgFfmADDsbQI=
atoms_aniso_u22: uHBeAPg5VQAYAc0AQINZAbCUhwHITs8AaJ2eATDsbQI=
atoms_aniso_u33: uHBeAPg5VQAYAc0AQINZAehFuACIekIBaJ2eATDsbQI=
atoms_aniso_u12: AAAAAAAAAAAAAAAAcBEuAAAAAAAAAAAAAAAAAAAAAAA=
atoms_aniso_u13: AAAAAAAAAAAAAAAAcBEuAAAAAAAAAAAAAAAAAAAAAAA=
atoms_aniso_u23: AAAAAAAAAAAAAAAAcBEuAAAAAAAAAAAAAAAAAAAAAAA=
qdat:
AAAAAAAAAAAAQAAAAQAAAgAAIAAQACAAAAIAIAIAQAgCAIAAEAgEBAICBAAECBAgAIEACCBBBBBABCCEEIIAghCEIQBCIQBEAhEIhEAiIhEQEREREBERAiBESIkBIkSIAkSRBEkCQRIkkEkSkESQkCUgEBEpIISSgFJKAh==


formula: Ta3 N5
compound: <missing>
pub_title: Structure of Ta3N5 at 16 K by time-of-flight neutron diffraction _cod_database_code 1005006
formula_title: N5 Ta3
a: 3.8862
b: 10.2118
c: 10.2624
alpha: 90
beta: 90
gamma: 90
cell_volume: 407.264
crystal_density: 9.996
atoms_sites: ["Ta1", "Ta2", "N1", "N2", "N3"]
atoms_x: AAAAAAAAAAAAAAAAAAAAAAAAAAA=
atoms_y: sAcMAFg2CABQlS4AiN4CADDWEgA=
atoms_z: QEIPAFAfIgBAQg8ACEsHANCABAA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: ["Ta1", "Ta2", "N1", "N2", "N3"]
atoms_aniso_u11: AEsAANA5AAAAfQAAgNQAAGBtAAA=
atoms_aniso_u22: sIEAADB1AABghgAAkH4AALCBAAA=
atoms_aniso_u33: 0DkAANBrAACAiQAAsIEAAHCUAAA=
atoms_aniso_u12: AAAAAAAAAAAAAAAAAAAAAAAAAAA=
atoms_aniso_u13: AAAAAECcAAAAAAAAgPP//8ASAAA=
atoms_aniso_u23: AAAAAAAAAAAAAAAAAAAAAAAAAAA=
qdat:
AAAAAAAAAAAAAAAAAAAAMABAAAAABgEAAAAIBAAABg4AADAAAAgwABAgADHAAUIAFMAGGADAADIAC4AYgH+A9AH8BAAbwAoCeBeAvA9g1AohfC+C4C0fI6A/AkPw8jUDAMDgDiYfiyciwfgQfEAJPRQQj4sCCJwCGiAqUj==


formula: Ba V2 P4 O14
compound: <missing>
pub_title: Structure of barium vanadium(III) diphosphate _cod_database_code 1001510
formula_title: Ba O14 P4 V2
a: 10.6213
b: 10.4685
c: 9.7063
alpha: 90
beta: 103.074
gamma: 90
cell_volume: 1051.259
crystal_density: 3.709
atoms_sites: ["Ba1", "V1", "V2", "P1", "P2", "O1", "O2", "O3", "O4", "O5", "O6", "O7"]
atoms_x: QEIPAAAAAAAAAAAA4LIDAKAmEQCQGwQAUAf+/yBhAQDQPAwAkGQVAJAjCwAQnRYA
atoms_y: QEIPAIByIQAAAAAAkPMSADDmGwBAbxQAgHYYAOChCgDA/hMAUA8eABAjIgDQhBkA
atoms_z: gIQeAEBCDwAAAAAAMHwDAHBMDADwR/r/kIwGAPAFBQBwkAkAoFUFACDnDACQtRQA
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAQAAAAIwARAAAAAUBACwQIAgARAkECAJTAcCAJyiAQQMgVKnowIohdYK6dUqjDyIvYXpqF7ufvVOGrOyVexe437nT+99vzurt+7lbtdbvbL7+sH771lvlL2futzaJxuR5+PHJo/BfZpGlZyESDKtppAAQ==


formula: U2 Si O10 H4
compound: Democratic Republic of the Congo
formula_title: <missing>
a: 8.334
b: 11.212
c: 18.668
alpha: 90
beta: 90
gamma: 90
cell_volume: 1744.353
crystal_density: 5.089
atoms_sites: ["U", "Si", "O1", "O2", "Ow3", "H"]
atoms_x: YOMWACChBwAgtCEAsLANAGDjFgCATxIA
atoms_y: YOMWACChBwDgdxEAcJcMAGDjFgBADBgA
atoms_z: iLECACChBwBgxQIA0CEEACCPCgCgxwsA
atoms_occupancy: 0
atoms_u_iso: GKEAACiqAADwIgEAQPsAACjHAQCQFwMA
atoms_aniso_label: ["U", "Si", "O1", "O2", "Ow3"]
atoms_aniso_u11: MKcAAMDaAABg6gAAQBkBAMDUAQA=
atoms_aniso_u22: QJwAAGBtAAAgSAEAYOoAAGBhAgA=
atoms_aniso_u33: YJ8AAOCrAACAOAEAAPoAAEAZAQA=
atoms_aniso_u12: EMP//wAAAADgLgAAAIP//2Bz//8=
atoms_aniso_u13: AAAAAAAAAAAAAAAAYPD//wAAAAA=
atoms_aniso_u23: AAAAAAAAAABAHwAAoA8AAAAAAAA=
pub_title:
 The importance of accurate crystal structure determination
 of uranium minerals. II. Soddyite (UO2)2(SiO4)*2H2O

qdat:
AAAAAAAAAAAAAAAACAAAABEgAAAEAAAYQAAgAIEQACoCBAIJCBIQBADwQQIwIUKLAKVICkhCoAKCwqkalQEUBaCUCGjANTggOABKexBlQwKyClRKgSCCPCABiBVERMQx0giGIiBIECAEQokCCASAQCgAAAAAGAQAAABAAA==


formula: Pb2 (Mn Fe2) F12 O3
compound: <missing>
pub_title: Structure of Pb2MnFe2F12(H2O)2 _cod_database_code 1000100
formula_title: Pb2MnFe2F12(H2O)2
a: 9.320
b: 9.320
c: 3.9618
alpha: 90
beta: 90
gamma: 120
cell_volume: 298.027
crystal_density: 4.775
atoms_sites: ["Pb", "Mn", "Fe", "F1", "F2", "F3", "O"]
atoms_x: VVgUAHBhLgBwYS4AUE4gABBxLgCgzQoAkOgYAA==
atoms_y: q7AoAAAAAAAAAAAAMBEyAAAAAAAAAAAAAAAAAA==
atoms_z: gIQeAAAAAAAAAAAAAAAAAICEHgAAAAAAgIQeAA==
atoms_occupancy: AAk9AEhYFAC4sCgAAAk9AAAJPQAACT0AAAk9AA==
atoms_u_iso: 0
atoms_aniso_label: ["Pb", "Mn", "Fe", "F1", "F2", "F3", "O"]
atoms_aniso_u11: ECEBAJBlAACQZQAAwMEAAECvAQBQWQEAQH0BAA==
atoms_aniso_u22: ECEBAJBlAACQZQAAEFMBADAeAgDg3QAAYLIBAA==
atoms_aniso_u33: gB8BAJBlAACQZQAA8E8BAMDaAABw8gEA0H4BAA==
atoms_aniso_u12: wI8AAJAzAACQMwAA4EcAAOAPAQDwbgAAMNkAAA==
atoms_aniso_u13: AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
atoms_aniso_u23: AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
qdat:
AAAAAAAAAAAAAgAAAAAAAAEAAAkAAEAAAAKAAgAgAAAIAgBgAAABRCEAEEREAAEgBiAECIkAIEQAApBMIgUWASKAIlBQgGjgCYgQQMEhZicchEBZKYpPdBLDkJDBxYlByB2K1QTLKN5d4QhiVkX6cjqAg7J0Ndid6TxJVJ==


formula: Ba3 P6 O26
compound: <missing>
formula_title: Ba3 H16 O26 P6
a: 20.98
b: 7.227
c: 17.44
alpha: 90
beta: 119.56
gamma: 90
cell_volume: 2300.113
crystal_density: 2.928
atoms_x: KNoRAAAAAADg0QcAGHEcAND6FgDQyBYAoBoTAHDYFgBwCxsAcI4aAIBLGwCQoxcAICcTAJCLGwAwFAwA4HYNAKAeCgAADRsA
atoms_y: 2GQ2ABBOEAAAATYA8IcyAHAsCQAgtxQAwBARAPATJAAQ+/7/0KcPAHCaMQBAagAA0DUJAFDtEgCgGCQAMDgGAODqNACgCBYA
atoms_z: mNwrAMDGLQAQzy8A0JYWAECSIwDgXSYAYBQsAGAULADw6zIAYEk4ANBsBACQsggAwPQdAHA8MADg2iYAEJ4BAHAyCABwrgQA
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Crystal chemistry of cyclo-hexaphosphates. XIX. Structure of barium
 cyclo-hexaphosphate octahydrate
 _cod_database_code 1007199

atoms_sites:
["Ba1", "Ba2", "P1", "P2", "P3", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "O11", "O12", "O13"]

qdat:
AAAAAAAAAAAEABACAAQAABGgABACQhEQQQmDIgAC8KCzBxLD0CHRkK8Ucds02v6o8aytV9M2yXt+MP91rHrYzuHepr38avD2u+Z8809uRq3a643+Fbj02785/q4/OPQrtMttW6v7cT6bUqFdQ/uPMzKYmYG1KOk5PiAaEC==


formula: Nb N4 Li7
compound: <missing>
pub_title: Structure of lithium niobium nitride _cod_database_code 1005005
formula_title: Li7 N4 Nb
a: 9.829
b: 9.829
c: 9.829
alpha: 90
beta: 90
gamma: 90
cell_volume: 949.572
crystal_density: 2.763
atoms_sites: ["Nb1", "N1", "N2", "Li1", "Li2", "Li3"]
atoms_x: oLcWAJChDwBQzQ8AAJMmAGBDBwAQEAgA
atoms_y: oLcWAHDfAABQzQ8A0IYIAED4+f8QEAgA
atoms_z: oLcWADBJ//9QzQ8AcAYHAMDONAAQEAgA
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: ["Nb1", "N1", "N2", "Li1", "Li2", "Li3"]
atoms_aniso_u11: 4C4AACBOAAAgTgAAAPoAAEAZAQAgywAA
atoms_aniso_u22: 4C4AAKCMAAAgTgAAYOoAACDLAAAgywAA
atoms_aniso_u33: 4C4AAKCMAAAgTgAAQBkBAIA4AQAgywAA
atoms_aniso_u12: AAAAAKAPAADA4P//QB8AAKAPAADA4P//
atoms_aniso_u13: AAAAAKAPAADA4P//QB8AAACD///A4P//
atoms_aniso_u23: AAAAAOAuAADA4P//gD4AAMDaAADA4P//
qdat:
AAAAAAAAAAAAAAAAAAEAAIABAAQAAAQAgAAIBAIBAACBAQECBAgAQIIIAIIAIQQghCAIQhCEIBCIREIBEBAQgREREQEiJEgJEiRAkSCIIkkSCSSKAKJRCSQSEgpISSkhKQkJSAgUlQQiUBUqAiFCEFCgRAhEDAABQiACAA==


formula: Co S O8 D8
compound: Synthetic
pub_title: Structure of cobalt sulfate tetrahydrate
formula_title: <missing>
a: 5.952
b: 13.576
c: 7.908
alpha: 90
beta: 90.53
gamma: 90
cell_volume: 638.974
crystal_density: 2.444
atoms_x: oBoEAIjQCwC4LgAAGD0PAGAFGABI5wcASCkWAEjjLgDQKzYAwMEKAEAYFgBgSBsAIEwqAACBKQCADDIAYJQ4AMB0EQCg8QQA
atoms_y: yEoGAMCTBgBo9AIAqIUEAFCgBQBw8QwAOJsEAEibCADIvAcAODEPAKDxBABAlgEAQN0KAED7BQBgrgoA4IcGAKCvDwCgIBIA
atoms_z: CGMNACBdMgBINC4AwP08ALDOKwCgNzIAuLQVACgoBQDQ3RoA4EkNAMA4GwDAYhQA4P4HAOCfAgAAWBsAgHIhAMD3EACA6g0A
atoms_occupancy: 0
atoms_u_iso: gLsAAOCrAACgCQEAoAkBAOAoAQBAGQEAIEgBAMBXAQDgpQEAIEgBAECcAACAOAEAAHECAIA4AQBAnAAAQJwAAIA4AQBAnAAA
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
atoms_sites:
["Co", "S", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "D51", "D52", "D61", "D62", "D71", "D72", "D81", "D82"]

qdat:
AAAAAAAAAAAAAAAMACAQIAAMAAGiAgDAhEAUgAsEHAaAcgpASMoIRtg+3D6bU6CX8PDxwtfm/4afHxt159rufdFc/5Ws/+vt1/fLbDs+U/7///7v955va5N99+v7//e/r5vv/v/P8//93vu//t/913P/7PtvXdq//6/79/==


formula: Ag4.5 Na.5 P4 O17 N
compound: <missing>
formula_title: Ag9 H8 N2 Na O34 P8
a: 17.254
b: 7.543
c: 23.465
alpha: 90
beta: 90
gamma: 90
cell_volume: 3053.897
crystal_density: 3.945
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Structure of nonasilver sodium cyclooctaphosphate dinitrate
 tetrahydrate: Ag9NaP8O24(NO3)2 . 4H2O
 _cod_database_code 1007200

atoms_sites:
["Ag1", "Ag2", "Ag3", "Ag4", "Na1", "P1", "P2", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "N1", "O8", "O9", "O10", "O11", "O12"]

atoms_x:
AAAAABA4DQB4ohcAgEkTAIBJEwAAZggAAGQZAIBGBwBALQYAYG0ZAAAwEQAAMhkA4NwVAICEHgBAKAsAAMsMANBhCgAAAAAAAAAAAAAAAAA=

atoms_y:
EKkUAGCxFgDAHA8AAAAAAAAAAACQWQIAQLgMAADeDQAAAAAAwI8ZAODkHACQOwcAELkJALA/CwAARwkAoJ0SACCzBABglg4AwHg6AEDcHwA=

atoms_z:
sBECAKD3CABAQg8AAAAAAAAAAAC4vhoAoMoXAFCrBAAAAAAAYFoYAKD3AwDQQAMA0GcJAMALFgBAQg8AQEIPADB4DADAUwoAQEIPAEBCDwA=

atoms_occupancy:
AAk9AAAJPQAACT0AgIQeAICEHgAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQA=

qdat:
AAAAAAAAAgAAQAAxAFAAQEBMMBFhQ4bCg6GS1XnQUhZ0S37adZ7udokW/36Xbq7WlY/5X78367q/KrMk4N+L+S9VrvTtfLFSVvppkpb/Wc3XMsG/dbv5jrWys80UQ5fvvZscvVzCulRtn87PettbSUINmTCCBAgAAAAAAA==


formula: Ca2 Y As W2 O12
compound: Alpine fissures, Pizzo Cervandone area, Ossola Valley, Italy
formula_title: <missing>
a: 5.135
b: 5.135
c: 33.8820
alpha: 90
beta: 90
gamma: 90
cell_volume: 893.408
crystal_density: 5.975
atoms_sites: ["Ca", "Y", "As", "W", "O1", "O2", "O3"]
atoms_x: gIQeAAAAAACAhB4AAAAAANDfDgDwgwkAQKcTAA==
atoms_y: QEIPAEBCDwDAxi0AwMYtANAINgAAMx0AwOz9/w==
atoms_z: GIsCACChBwAgoQcAGNsCAAD6AACQTQQAkPYFAA==
atoms_occupancy: 0
atoms_u_iso: UMMAAFCMAACQgwAAQKEAADALAQDg9gAAUEABAA==
atoms_aniso_label: ["Ca", "Y", "As", "W", "O1", "O2", "O3"]
atoms_aniso_u11: gNQAAMCoAADwoAAA0KwAAIA4AQBg6gAAoIYBAA==
atoms_aniso_u22: 0OgAAMCoAADwoAAAmJQAAIA4AQDgKAEAYGcBAA==
atoms_aniso_u33: MI4AAEBRAABwSQAAMKIAAOCrAAAgywAAwNoAAA==
atoms_aniso_u12: sDYAAAAAAAAAAAAAcBcAAKAPAAAAAAAAYG0AAA==
atoms_aniso_u13: AAAAAAAAAAAAAAAAAAAAAEAfAAAAAAAAAAAAAA==
atoms_aniso_u23: AAAAAAAAAAAAAAAAAAAAAGDw//9AHwAAQB8AAA==
pub_title:
 Structure of a new natural tungstate arsenate, [Ca2Y(AsO4)(WO4)2], structurally
 related to scheelite
 Note: anisoU's from ICSD

qdat:
AAAAAAAAAAAAIAAAAAAACAIACCAAAGAAAAMAAAAABAKAACECQAEAAEAAACAgAJBQBAAQAAAEAEQQCACAAEEAUUDAEAARgAEAAAAAAAoQQCAAEBRBAIAIgAggIAJgZhAQAkCsIEAABSEEAABSIEAkGQggAAAEIAIUiCASGx==


formula: Nb8 Si P4 K4 O34
compound: <missing>
formula_title: K4 Nb8 O34 P4 Si
a: 10.6050
b: 10.6050
c: 6.4099
alpha: 90
beta: 90
gamma: 90
cell_volume: 720.896
crystal_density: 3.675
atoms_sites: ["Nb1", "Nb2", "Si1", "P1", "K1", "K2", "K3", "O1", "O2", "O3", "O4", "O5", "O6"]
atoms_x: gIQeAHDVCgCAhB4AUKEOAAAAAAAAAAAAgIQeAICEHgBgNBYA4CEXAICEHgDAtwoAIK4JAA==
atoms_y: 8EULAHDVCgCAhB4AUKEOAAAAAACAhB4AgIQeAAAAAACwqQoAoCUNADBPFwAAAAAA4BgMAA==
atoms_z: sGsMAAAAAAAAAAAAgIQeAICEHgAw1xEAgIQeACDuDwDwTwEAIKYbAKDZCAAA9AEAMAMTAA==
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 A niobium silicophosphate belonging to the niobium phosphate
 bronzeseries: K4Nb8P4SiO34
 _cod_database_code 1001541

qdat:
AAAAAAAAABAAAAgAIAASAEQAACAEgCAQKBQOAAQUCBChQwAgIoooxyAjIKQRkEcyGIxCYzUzIjISN2JqiXth7st1bZNpF2S2i+nyn+v4s7f25p6utD95+/dDv3rPPzds9/ak/j9uDZo+ef9PP0Uv/T9+blw/8Kt5tKVblz==


formula: Tl2 Sr O4
compound: <missing>
formula_title: O4 Sr Tl2
a: 10.0451
b: 11.6905
c: 3.40860
alpha: 90
beta: 90
gamma: 90
cell_volume: 400.280
crystal_density: 9.299
atoms_sites: ["Tl1", "Tl2", "Sr1", "O1", "O2", "O3", "O4"]
atoms_x: kMkZAEC1GQDg+y0A4OAMAICqBwBAqh8AgD4ZAA==
atoms_y: oCslANCrBgCAsicAwNAKABAoHQDgiy8A4PYZAA==
atoms_z: QEIPAEBCDwBAQg8AQEIPAEBCDwBAQg8AQEIPAA==
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
pub_title:
 Structure Refinement of the semi-Metallic Oxide SrTl2O4: a Neutron
 Diffraction Study
 _cod_database_code 1001537

qdat:
AAAAAAAAAAAAAAAAAAgABACAAAAEAAAAgAgBAQQABWCAAJAAAKADECJgACYAAUEwhsgI0DQShAbIIgJgCKFpQIKC/MTClCOxywVUg0nV+RErDyyOhcUAqsCwg6NC6v0VgrwxUASaI1Q0XCMmQkQA9SFEiNAokKgZxcQYld==


formula: Pb V2 P2 O10
compound: <missing>
pub_title: Structure of PbV2P2O10 _cod_database_code 1001534
formula_title: O10 P2 Pb V2
a: 5.2306
b: 8.5805
c: 16.790
alpha: 90
beta: 91.01
gamma: 90
cell_volume: 753.438
crystal_density: 4.681
atoms_sites: ["Pb1", "V1", "V2", "P1", "P2", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10"]
atoms_x: MOUDANCGCAAw/xsAkBMWABC2FgAgjwoAQMz4/wA29/9gWhgAgLQWAIDwDAAgQRcAAIEpAAAQJwDgsBQA
atoms_y: 8O8LAGCZMwDQRgIAQNIQADB1GQDgfSkAkJcyAKD4OQAwQzIAECM7AKDW/P+g5w4A0LYAAKBF9/9wiQYA
atoms_z: +BULAOgOBAAATxUAQDIBAJCiEwDguQYAgJX+/8CwBwAQLf//AH8IAPAuEwBgTBIAAIcPAKBHGACAlhsA
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: ["Pb1", "V1", "V2", "P1", "P2", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10"]
atoms_aniso_u11: CHAAAMArAADARAAAIDUAAIAlAAAgTgAA4C4AACBOAADAXQAAIE4AAMBdAACgjAAAIE4AAKCMAACgjAAA
atoms_aniso_u22: sDEAADAqAACQGgAAYCIAAFAUAADQOQAAkEwAAEA4AADwPAAAoCgAANA5AADwIwAAQDgAAAAyAADgLgAA
atoms_aniso_u33: 0AwAAGAEAAAQBAAAqAIAAEgDAAAQDgAAsAQAAIAMAADwCgAAgAwAAFAUAACwBAAAsAQAALAEAADQBwAA
atoms_aniso_u12: sOv//xAOAABw/v//gPP//5ABAADgsf//gMH//0AfAADgLgAAwOD//4DB//+gDwAAwOD//2BtAAAg0f//
atoms_aniso_u13: 6AgAAOD8//8AAAAAkAEAAOD8//8AAAAA4Pz//6APAAAQDgAA8PH//2Dw//9w5f//gPP//wAZAABABgAA
atoms_aniso_u23: 6PT//8D5//8AAAAA4Pz//3D+///wCgAAQAYAACDq//8gAwAAIAMAALDr//9w/v//IOr//+D8//+Q6P//
qdat:
AAAAAAAAAAAAECAAAEAAgAIFIwCJAAREYElABUCKkTdDOJQMTRqILUbNamkIm/J1ff8hWpfOJ/evQ7NTw+8/t+/d79KuuZv3+LVr33f8//d/3r+La+3V4/V37/3/t/9r/7v/d/527evXdcdbP+6v/b587Tvsdd/X2/3q//==


formula: Ba.84 Rb3 Nb8 P5 O34
compound: <missing>
pub_title: Structure of Ba0.84Rb3Nb8P5O34 _cod_database_code 1001535
formula_title: Ba0.84 Nb8 O34 P5 Rb3
a: 10.6604
b: 10.6604
c: 6.4434
alpha: 90
beta: 90
gamma: 90
cell_volume: 732.255
crystal_density: 4.113
atoms_sites: ["Ba1", "Rb1", "Rb2", "Nb1", "Nb2", "P1", "P2", "O1", "O2", "O3", "O4", "O5", "O6"]
atoms_x: gIQeAAAAAAAAAAAAgIQeALDHCgCAhB4A8MkOAICEHgCgUxYAsEIXAICEHgBA3QoAMNUJAA==
atoms_y: gIQeAAAAAACAhB4AwAILALDHCgCAhB4A8MkOAAAAAAAgqAoAsH4NAABwFwAAAAAAkE8MAA==
atoms_z: gIQeAICEHgAAxhEA8CYMAAAAAAAAAAAAgIQeAACgDwCghgEA4IYbAGC6CAAA9AEAoBoTAA==
atoms_occupancy: AEUzAAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AA==
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAABAAABAAIAAiAIgAAEAJAEAgUCgoAAg4ECFDigBAhSSinECMQpBnIRzIYjEJiUzMiMhQmQk0J12L9nmpKt1Iuy20Wu2c/9vFGb3nJbW942+Xv/Y69+zzcvbP/3rX4+9h2bLrNujXZGT9levFyYNqFunyom9a7W==


formula: S
compound: Synthetic
pub_title: A redetermination of monoclinic gamma-sulfur Note: known as gamma sulfur
formula_title: <missing>
a: 8.455
b: 13.052
c: 9.267
alpha: 90
beta: 124.89
gamma: 90
cell_volume: 838.836
crystal_density: 2.031
atoms_sites: ["S1", "S2", "S3", "S4", "S5", "S6", "S7", "S8"]
atoms_x: 0JQnAOB/MQBgci0AwJ4jAHDgBAAw0A4AIMMSADANCQA=
atoms_y: kBkVAABaIwDgCRsAAE8pADCzMABg5AEAoI02APDBBwA=
atoms_z: cNETAEC8HADwdiAAAHAXABAqDAAQbw0AUF4VAOAaFAA=
atoms_occupancy: 0
atoms_u_iso: cBgEAKAvAwBgQgMAcB4DAGC/AwCwzQQAAOgDAICKBAA=
atoms_aniso_label: ["S1", "S2", "S3", "S4", "S5", "S6", "S7", "S8"]
atoms_aniso_u11: UN0EAFA6AgAgPAMAgEUDACCaBACAowQA0JECAHBqBwA=
atoms_aniso_u22: IG4DABBBBABQFQQA8PgCAIDhAgAAXwUAIK0FAAAHAwA=
atoms_aniso_u33: sB4EAHBpAwDgnwIAcB4DADD5AwAwdgQAIB0EAKApBAA=
atoms_aniso_u12: sEkBADDG//8gZwAAUJf//3AwAABwv/3/0GsAAND6/f8=
atoms_aniso_u13: UIUCAHB1AQAQhQEAUO8BAGCsAgDQQAMAYIABADB8AwA=
atoms_aniso_u23: cGIAAKBaAADQzwAAQHD//5Br//8Au/7/ADj//9Cp/v8=
qdat:
AAAAAAAAgAAAAAAQgQAAAQgAgABGGAQRQAQ0CASQUkZAoYkDyA05YDE2XLQEemMVQ+xk1rOoW1CV+4fX1q+49XqEX0/p9W66W7Qd8f66273tOl9qbbr5f8X//9bXbv4e939/32y/7lv/1/uXe//7t6p9vv/3//3+/udu5/==


formula: (Ca5.76 Mg.24) Al4.44 Si2.08 Fe.48 O16 Cl2.76
compound: <missing>
pub_title: Structure of wadalite Ca6Al5Si2O16Cl3 Note: the values for the anisoU's are from ICSD
formula_title: <missing>
a: 12.001
b: 12.001
c: 12.001
alpha: 90
beta: 90
gamma: 90
cell_volume: 1728.432
crystal_density: 3.057
atoms_sites: ["Ca", "Mg", "AlT1", "SiT1", "FeT1", "AlT2", "SiT2", "O1", "O2", "Cl"]
atoms_x: sF0GALBdBgDw9/7/8Pf+//D3/v9g4xYAYOMWAEDVAwBA4QEAIKEHAA==
atoms_y: AAAAAAAAAADw9/7/8Pf+//D3/v8AAAAAAAAAAEDVAwBADQMAgIQeAA==
atoms_z: QEIPAEBCDwDw9/7/8Pf+//D3/v9AQg8AQEIPAEDVAwCAmScAQEIPAA==
atoms_occupancy: AJg6AABxAgAAnyQAABcRAABTBwAAgSkAAIgTAAAJPQAACT0AACc4AA==
atoms_u_iso: YIYAAGCGAACQZQAAkGUAAJBlAAAgZwAAIGcAACAWAQCAuwAAUCcBAA==
atoms_aniso_label: ["Ca", "Mg", "AlT1", "SiT1", "FeT1", "AlT2", "SiT2", "O1", "O2", "Cl"]
atoms_aniso_u11: IIAAACCAAACQZQAAkGUAAJBlAAAAGQAAABkAACAWAQCAiQAA4HkAAA==
atoms_aniso_u22: wI8AAMCPAACQZQAAkGUAAJBlAACgjAAAoIwAACAWAQCgvgAAQH0BAA==
atoms_aniso_u33: QIMAAECDAACQZQAAkGUAAJBlAACgjAAAoIwAACAWAQDw6wAAQH0BAA==
atoms_aniso_u12: AAAAAAAAAADQBwAA0AcAANAHAAAAAAAAAAAAAACWAABAHwAAAAAAAA==
atoms_aniso_u13: AAAAAAAAAADQBwAA0AcAANAHAAAAAAAAAAAAAACWAADgFQAAAAAAAA==
atoms_aniso_u23: 4KsAAOCrAADQBwAA0AcAANAHAAAAAAAAAAAAAACWAAAw+P//AAAAAA==
qdat:
AAAAAAAAAAAAAAAAAAAAAIAACAAAAAAACABAAAAgAgCAEAABAIAAABAQEAAQECAgQIAACBBAggggAggAghBAEEIQQhAEAQhEIBCAAhEIiIBEICACERAQAiAAREBIAIAAIAAAIAAAAAAAABAAAAAAAAAAAAAAAAAAAAAAAA==


formula: Te P8 O32 N8 H42
compound: <missing>
pub_title: Ammonium cyclo-octaphosphate-telluric acid dihydrate adduct _cod_database_code 1007210
formula_title: H42 N8 O32 P8 Te
a: 15.146
b: 11.049
c: 12.189
alpha: 117.15
beta: 109.72
gamma: 90.54
cell_volume: 1675.779
crystal_density: 2.065
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
atoms_sites:
["Te1", "P1", "P2", "P3", "P4", "P5", "P6", "P7", "P8", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "O11", "O12", "O13", "O14", "O15", "O16", "O17", "O18", "O19", "O20", "O21", "O22", "O23", "O24", "O25", "O26", "O27", "O28", "O29", "O30", "O31", "O32", "N1", "N2", "N3", "N4", "N5", "N6", "N7", "N8", "H1", "H2", "H3", "H4", "H5", "H6", "H7", "H8", "H9", "H10", "H11", "H12", "H13", "H14", "H15", "H16", "H17", "H18", "H19", "H20", "H21", "H22", "H23", "H24", "H25", "H26", "H27", "H28", "H29", "H30", "H31", "H32", "H33", "H34", "H35", "H36", "H37", "H38", "H39", "H40", "H41", "H42"]

atoms_x:

atoms_y:

atoms_z:

qdat:
AAAAAAAEAAFAAAIgAAIARKkAJABJaAgICFRqRFJDorGkQ2lB6fCpKU+3aK57fjP0re3tb3L369r/t/TX+z3fN9//b9cq93+v263f73+9/bX+/19/V/33/v/7///37/7v////+n/aL39vVv939967z//m37N//RHzr7c93f==


formula: Nb8 K3 O21
compound: <missing>
pub_title: Single-crystal structure of K3 Nb8 O21 _cod_database_code 1001860
formula_title: K3 Nb8 O21
a: 9.1584
b: 9.1584
c: 12.0404
alpha: 90
beta: 90
gamma: 120
cell_volume: 874.602
crystal_density: 4.544
atoms_sites: ["Nb1", "Nb2", "K1", "O1", "O2", "O3"]
atoms_x: q7AoAMAwDwAgPiQAIGgdAGA+DABgogwA
atoms_y: VVgUAMAwDwAgPiQA8C4TAAAAAABgogwA
atoms_z: AAAAAGDHBQBAQg8A4NgFAECEBABAQg8A
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAQAAAIAAABBAEAIACAACAADggQAiACAKACECI4CATBIDAkUgUQBwElgIKbbAwc+EQrgRpccpcLW8oFfPXahXhTTyhZU0f/4prVLzV3bXPrrH58KxoT9aWl7R+d3Yffe/x01b8ya8t97h1ZUz6DvX7jXx9Z==


formula: Nb14 Si4 K6.5 Ca.75 O47
compound: <missing>
pub_title: Structure of a new siliconiobate K6.5 Ca0.75 Nb14 Si4 O47 _cod_database_code 1001861
formula_title: Ca0.75 K6.5 Nb14 O47 Si4
a: 9.046
b: 9.046
c: 27.883
alpha: 90
beta: 90
gamma: 120
cell_volume: 1975.983
crystal_density: 4.116
atoms_sites: ["Nb1", "Nb2", "Nb3", "Si1", "K1", "K2", "Ca1", "O1", "O2", "O3", "O4", "O5", "O6", "O7"]
atoms_x: QPcOACiDDgBVWBQAVVgUAEAoJAAguyQAILskAMBBDQAAzBAA0AoMAAClCgBVWBQAEBcLAEBHCgA=
atoms_y: AAAAAAAAAACrsCgAq7AoAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACrsCgAgKMdAHBjHQA=
atoms_z: SLUCADAfCwAAAAAAQLQLAPiNBgBAQg8AQEIPACDABgBAQg8AAIUgAODhKQBAQg8AsJAKAID6GwA=
atoms_occupancy: AAk9AAAJPQAACT0AAAk9AAAJPQCwLAoAQEIPAAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQA=
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAEAAAAAIAoAAAAQAEUICSDABiAJAAsQUoBxghAwA9Cbk0GAch0BIpKQaMQgMDIUNvTo4dPDSJg8PSPZGGH+mkEDPtMe8ckh0yMOs/ymPoqEMdTv8zudaOkmIwm51ZncrUnlkRv5u+znvIiF6n17m97InqRIQ36ft==


formula: Mo As2 O7
compound: <missing>
pub_title: Structure of MoAs2O7: corrigendum and addendum Note: AnisoU's from ICSD
formula_title: MoAs2O7
a: 16.14
b: 4.550
c: 7.788
alpha: 90
beta: 100.07
gamma: 90
cell_volume: 563.117
crystal_density: 4.220
atoms_sites: ["Mo", "As1", "As2", "O1", "O2", "O3", "O4", "O5", "O6", "O7"]
atoms_x: mAwGAHiEAwBo7wwAwLAHADBqBgCwogcAwIkBADCKOwBQNgsAkHUOAA==
atoms_y: 0AcAAOAcHABQIyMAYMIPAODTIwCAbQ0AIGYuAIDeDwAA2i8AYKIMAA==
atoms_z: mMIJAPhcMgDAkiUA0AM7APCRKACgXxQAII44AEB1LABg/wkAYD8pAA==
atoms_occupancy: 0
atoms_u_iso: kJcAAMCPAABguAAAEL0AAFDcAACABgEAwI8AAHDGAADwHQEAQBkBAA==
atoms_aniso_label: ["Mo", "As1", "As2", "O1", "O2", "O3", "O4", "O5", "O6", "O7"]
atoms_aniso_u11: 0J0AAPCgAADAwQAAIMsAAOCrAADAVwEAgLsAACDLAAAgywAAoIYBAA==
atoms_aniso_u22: 0FIAAHBJAABQkQAAAH0AAMDaAADgqwAAIE4AAOCrAACgCQEAoIwAAA==
atoms_aniso_u33: oNcAAHDGAAAQ1gAAYOoAAKAJAQCgCQEA4KsAAMDaAACghgEAgDgBAA==
atoms_aniso_u12: cP7//7AEAACQAQAAoA8AAOAuAADgsf//oA8AAIDB//8AAAAAIE4AAA==
atoms_aniso_u13: UOL//0AGAAAQDgAAAAAAAAAAAAAg0f//QB8AAMDg//8AAAAAAIP//w==
atoms_aniso_u23: YAkAAHD+///gFQAAoA8AAKAPAADA4P//wOD//2Dw//9gbQAAwOD//w==
qdat:
AAAAAACAAAAAAQAAAAABAAAAgANIQQJAIgCiEQAWQQAgIC8xlCWHDmGIyOKMCbjGGdBUWNrFr/Ir+p6sLRs8oefNstshu16f975n7Esuxq49b2Dvu7Pdzpu/eaef7ndpq9L923ujy1/tH7x32/7vfbt/m8/H1Nu7l/4f+1==


formula: Cu Cr2 Se4
compound: <missing>
pub_title: Single-crystal structure refinement of spinel-type CuCr2Se4
formula_title: CuCr2Se4
a: 10.337
b: 10.337
c: 10.337
alpha: 90
beta: 90
gamma: 90
cell_volume: 1104.545
crystal_density: 5.814
atoms_sites: ["Cu", "Cr", "Se"]
atoms_x: IKEHAICEHgC4tQ8A
atoms_y: IKEHAICEHgC4tQ8A
atoms_z: IKEHAICEHgC4tQ8A
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: ["Cu", "Cr", "Se"]
atoms_aniso_u11: AEsAAFAtAAAAMgAA
atoms_aniso_u22: AEsAAFAtAAAAMgAA
atoms_aniso_u33: AEsAAFAtAAAAMgAA
atoms_aniso_u12: AAAAACADAAAw+P//
atoms_aniso_u13: AAAAACADAAAw+P//
atoms_aniso_u23: AAAAACADAAAw+P//
qdat:
AAAAAAAAAAAAAAAAAEAAAAAAAAAACAAAACAAAAAAEAAAQAAAACAACAAAAIAAgAAAgAEAAAQAIAABABAAAgAgAAgBAACAIAAgCAAIBAAIBAAACAAgIAEAgAQEAEBABAQAAIAIEAAEAAEAIAAQAAAQBAAAAAAAAAgAAAAAEA==


formula: Ca2 Si O5
compound: <missing>
pub_title: Structure of alpha-dicalcium silicate hydrate Note: Structure revised in Marsh (1994)
formula_title: <missing>
a: 9.487
b: 9.179
c: 10.666
alpha: 90
beta: 90
gamma: 90
cell_volume: 928.808
crystal_density: 2.692
atoms_x: gFgdAABAHwBwLxUAsA4oAPBLCgAgsjIAMMcDAKD4OQAA2A4AIIUtANAxEgAQHysAMLUGAFBaNwCgFRgAsAclAA==
atoms_y: 8GQKAIC7MgAgZwAAkL88AHDJDADg1i8AwBQIALBDNABwSBUAwBwoAEBfBgCQLjcAQLMRAEAXKwDAahsAIFAhAA==
atoms_z: QAcEAGCtOADgtxcAMEYlAPAACgCAgzMAAAEEAHAGOQBwfAQAAIs4AODmCwBAojEAwCkRACAOLACA4BcAEK0kAA==
atoms_occupancy: 0
atoms_u_iso: ABJ6AAASegAAEnoAABJ6AAASegAAEnoAAJYAAPA8AADw0gAAUHgAAJDiAACwaAAAYG0AAOB5AABguAAA4GAAAA==
atoms_aniso_label: ["Ca1", "Ca2", "Ca3", "Ca4", "Si1", "Si2"]
atoms_aniso_u11: EFkAAKClAABwMAAA0M8AABBZAADgeQAA
atoms_aniso_u22: MHUAAHCtAAAgHAAAEAgBANBrAABAUQAA
atoms_aniso_u33: IGcAAGCGAABgIgAAEAgBANBSAADQUgAA
atoms_aniso_u12: QNT//wDn//+wHQAAUMn//3D+//+g9v//
atoms_aniso_u13: 0NX//9DV//+QGgAAgMH//3DM///AKwAA
atoms_aniso_u23: gCUAAJDo//9QLQAAILj///Dx//+gKAAA
atoms_sites:
["Ca1", "Ca2", "Ca3", "Ca4", "Si1", "Si2", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10"]

qdat:
AAAAAAAAAAAAAAAAAACCAAlABQCQAEQDgUAAIIFITpIIR7GAqDPOCMY12RGy96h/4SW3Px2e7aObj/nL+//3T/r2/v9/u9+5+73/v/O/3///P7///+9v//f///////f/v//fv+/7/f12/9lz/vxr/fHnuG/j1oLhMPJuMC==


formula: Mo4 P4 Tl4 O22
compound: <missing>
pub_title: Structure of Tl2Mo2P2O11 _cod_database_code 1001592
formula_title: Tl2Mo2P2O11
a: 9.945
b: 10.156
c: 9.974
alpha: 90
beta: 97.64
gamma: 90
cell_volume: 998.445
crystal_density: 5.579
atoms_x: gAsVAPC6BACgLhgAwLAHAAAAAABANy4AEC8gAGCEEQDgDxoAIGsQAMAaIAAAuAsA4AkbAGCL+/8Aif7/YD0IAABlBABgEw8A
atoms_y: 0DQFALClEwAw6xYAYKAEAAAAAAAA1woA4N4EAGCF/P8ARwkAwEsDAKAPAAAAuAsAQL8PAKAsEAAATB0AoGcbAAAvDQAA5xgA
atoms_z: UBYIADD0CAAgQBMAcJMVAAAAAACQfBEA0PweACC5AwBg/P3/IFkTACB9DQBgzAUAwIYOAEAHBACguw0AwF0AAACIEwAAmhAA
atoms_occupancy: AAk9AAAJPQAACT0AAAk9AAAJPQAACT0AgIQeAAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0A
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
atoms_sites:
["Mo1", "Mo2", "P1", "P2", "Tl1", "Tl2", "Tl3", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "O11"]

qdat:
AAAAAAAAAACAAABAAAAgCYAWAgQgAGABqMBAIFgCERMCckeQQnhg2QyDNpDSm9ZXPPT4G3Pjfhp/87N0+3/7h+z3f3/k/e8///4/P7+39//H/3b9f3l/3/f////fuv///t/8//Xr/3d/n/uP/9nvgeefzpe2E/2u5miA3h==


formula: Ca2 P2 O7
compound: <missing>
pub_title: Redetermination of the beta-Ca2P2O7 structure _cod_database_code 1001556
formula_title: Ca2 O7 P2
a: 6.6858
b: 6.6858
c: 24.147
alpha: 90
beta: 90
gamma: 90
cell_volume: 1079.369
crystal_density: 3.127
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
atoms_sites:
["Ca1", "Ca2", "Ca3", "Ca4", "P1", "P2", "P3", "P4", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "O11", "O12", "O13", "O14"]

atoms_x:
4GIIAPC1CQDwLzAAMCMWANDrJQCQ7zQAcNMCABCJEQBwHhwAcCkvAPBdIACwIi0AQPIsAPAqAwAg5TYAEBs0AHBSCwDQZQEA4KcJAKAOFQDgNRwAIP8IAA==

atoms_y:
EB4OAPA+IQAQyCwA4G4GAGDJEgBgdw8AwKArAOBwJwAAqwkAABwMABAJHgAADBcAEFQFABDMCgCA8xgAsEIwADCuNQBg0yEAkNgjAOCfGwDAVi8AoCEvAA==

atoms_z:
AAAAAPDODgCQbAgA4EQIAGhuAQBYlgcAGCMBAJBeBwCgmQIAMDD//3D+///Q0AQAUPcIABDRBQBwWAoAkKQCANDu///wev7/oBAEACD/CADwMQYAQJgJAA==

qdat:
AAAAAAAAAAAAAAACIJAAIAUJACCAQAIqEAypgMwQCQgCNQazDO4ZEGgCuQ4gEQzw2xPjSC0aQpCkYhdJ4yOAtKQ0LmJaIjp+VGDY6dKkD5UKYarlTr5polw+kwq0Qus05VoxT33tcYcVb9lMe0yVvaxDDCt6vWrVq9XNkn==


formula: Li Ga Si2 O6
compound: <missing>
pub_title: LiGaSi2O6 Note: anisoU's from ICSD
formula_title: LiGaSi2O6
a: 9.561
b: 8.569
c: 5.268
alpha: 90
beta: 110.244
gamma: 90
cell_volume: 404.937
crystal_density: 3.754
atoms_sites: ["Li", "Ga", "Si", "O1", "O2", "O3"]
atoms_x: AAAAAAAAAABoHBIAiO4GAHhOFgBQxxUA
atoms_y: ICAQAJAGNwDAjwUA6BwFAID3DwCQAQAA
atoms_z: QEIPAEBCDwBA7A8AIM0IAAC6EwAw/wIA
atoms_occupancy: 0
atoms_u_iso: gB8BAAhIAAA4RQAAYFQAAGCGAAAAlgAA
atoms_aniso_label: ["Li", "Ga", "Si", "O1", "O2", "O3"]
atoms_aniso_u11: wFcBAChGAABoPQAAsDYAAGCGAADAXQAA
atoms_aniso_u22: QBkBAMhLAACATQAAsGgAAEBqAACg8AAA
atoms_aniso_u33: YOoAAFhDAAAoQQAAQFEAAACvAADQawAA
atoms_aniso_u12: AAAAAAAAAADA9P//wPn//6DE//8AAAAA
atoms_aniso_u13: wF0AACgUAACAEQAAYAkAAOBHAAAAGQAA
atoms_aniso_u23: AAAAAAAAAAB4+///IAMAAHDl//9QsP//
qdat:
AAAAAAAAAAAAAAAABAAAAAAIEAAAAAQAIBAAAgEAAAIAgBCAJwCACIQgAAAGQgUADAAkQikAAcQEInBAQBCMnIJAwFJDkeQIGlMAlEi8JvGQOHmY6OBUHKL95EwRsw98hOBLwap8e9jWRJMqQmzTK3Ml85QrSmHTMauMes==


formula: Ca2 B5 O10 Cl H2
compound: Penobsquis potash deposit, Sussex, New Brunswick
pub_title: Refinement of the structure of hilgardite-1A Note: polytype Hilgardite-1A
formula_title: <missing>
a: 6.452
b: 6.559
c: 6.286
alpha: 61.60
beta: 118.72
gamma: 105.86
cell_volume: 204.867
crystal_density: 2.688
atoms_x: AAAAAMCcGwDQ7xwAoC0UADCpIQDw2TUAwFEbAFBTGwDQEiwAUKoZABDOEgCAlwYAoBUYAHA+HwAQeDEAsJsdAEDKOwDgFjYA
atoms_y: AAAAAMB4IQCwJDUAUIwFANB+AQDgLgAAsLMZAIA1JwDgxjoAUAg0AECvAQBgKQMAMFsVAEDpOgBgnwAAoBMQAKDeHADQeiMA
atoms_z: AAAAADC1BgAQxBwAALgkABBaBADQhR0AIJErAOAyKQAQsyMAIMgNAMCVGABA5CYAoLMfAMCcNADAhg4AoD07ABCRMQCgiQ0A
atoms_occupancy: 0
atoms_u_iso: gIkAALCaAABwSQAAIE4AAOBgAACgcwAAgHAAADCOAAAAfQAA4GAAACBnAAAAlgAA8IcAAOBgAADAjwAAcHsAADDyAADQTAEA
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
atoms_sites:
["Cal", "Ca2", "B1", "B2", "B3", "B4", "B5", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "Cl", "Wat"]

qdat:
AAAAAAAAAAAAAAAAAAUABIAAAACAAAAAASgAIggAADSIAAAAAHEAQGECAUiEAAFAiAQmzAAATCwFwKCAQiU8lInKAlDAGBi9BByqRVogwNjKO6QLAzp16LaoNaoc7tyJkXllXirprfr2bBhWcHXf83NP6DPzXlqVI/XfW3==


formula: Cd V2 P4 O14
compound: <missing>
pub_title: CdV2(P2O7)2 _cod_database_code 1001596
formula_title: CdV2(P2O7)2
a: 4.7833
b: 6.9698
c: 7.7644
alpha: 89.41
beta: 87.77
gamma: 73.16
cell_volume: 247.566
crystal_density: 3.771
atoms_sites: ["Cd1", "V1", "V2", "P1", "P2", "O1", "O2", "O3", "O4", "O5", "O6", "O7"]
atoms_x: AAAAAAAAAACAhB4AAIolAAgKAgDQkBcAUOsKAIDVBACw3RIAcEQeAJCYNgCw8TAA
atoms_y: AAAAAAAAAACAhB4AmCgwAFBhFwBwXDMAMMEEAHBfDQDA1BoA4EAvAPAoFABQvyIA
atoms_z: AAAAAICEHgAAAAAAWCgRAKAjDwAgyxkAkIksABABFwCApQwAMDgGAEAzBQBAVhQA
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAEACAAAACABCAARgAAAYAgSIAAAAEEQFAJwWBgCKIioIUBUArKXAQDSUaMfyxAMQyAM2awduYijTbB3ct79fKKibMT+8dHZEr3O/33mq6X9h/+FxP/Pe1xe3+Pr7//+gb7+7P2s5t8Nv+//+//t5v/z16d==


formula: Ca2 Si O5 H2
compound: synthetic Ca2SiO3OHOH
pub_title: A revised structure for alpha-dicalcium silicate hydrate
formula_title: <missing>
a: 9.487
b: 9.179
c: 10.666
alpha: 90
beta: 90
gamma: 90
cell_volume: 928.808
crystal_density: 2.721
atoms_sites: ["Ca1", "Ca2", "Si1", "O1", "O2", "O3", "O4", "O5", "H1", "H2"]
atoms_x: 2IwdAJAZFQDYVAoAyGsDANg2DwAwDhIA8DYGAPALGADAhg4AwMcYAA==
atoms_y: YFkKAFBaAADw/QwAQHEIAPgaFQDAEQYAWNcRAPCeGwDAuxoAIDUZAA==
atoms_z: WDAEALC6FwBQvwkAQPgDAKhxBABQnwsAUBIRAAAuGADAtgYA4LAUAA==
atoms_occupancy: 0
atoms_u_iso: ABJ6AAASegAAEnoAABJ6AAASegAAEnoAABJ6AAASegBg3gIAwMgDAA==
atoms_aniso_label: ["Ca1", "Ca2", "Si1", "O1", "O2", "O3", "O4", "O5"]
atoms_aniso_u11: wI8AAFB4AACwaAAAQIMAABAIAQAgmQAAUNwAAKCMAAA=
atoms_aniso_u22: YIYAAJB+AADwbgAAEIsAAICJAABAnAAA0J0AAMCPAAA=
atoms_aniso_u33: cHsAAOB5AABwYgAAIIAAAFCqAACAuwAAIGcAAOCrAAA=
atoms_aniso_u12: 0NX//1D7///A+f//cOX//0Dt///QIAAAwOD//8ASAAA=
atoms_aniso_u13: IOr//1D7///g/P//gPP///A8AADg4///0CAAAKD2//8=
atoms_aniso_u23: IAMAAEAGAABw/v//8PH//7AEAAAQDgAA0AcAAGAJAAA=
qdat:
AAAAAAAAAAAAAAAAAACCAAlABQCQAEQDgUAAIIFITpIIR7GAqDPOCMY12RGy96h/4SW3Px2e7aObj/nL+//3T/r2/v9/u9+5+73/v/O/3///P7/v/+9v//f///////f/v//fv+/7/f12/9lz/vxr/fHnuG/j1oLhMvJuMC==


formula: Cu3 Bi4 V2 O14
compound: <missing>
pub_title: Cu3Bi4V2O14, a new compound
formula_title: Cu3Bi4V2O14
a: 5.317
b: 7.916
c: 8.095
alpha: 74.58
beta: 89.38
gamma: 70.39
cell_volume: 308.243
crystal_density: 7.286
atoms_sites: ["Cul", "Cu2", "Bil", "Bi2", "V", "O1", "O2", "O3", "O4", "O5", "O6", "O7"]
atoms_x: 8N/p/wAAAABolgYAcO4ZAKBLDwCAuREA0MwNAGDw//+gDuP/sA0LAGAnFACgGQ8A
atoms_y: QFry/wAAAAAgg/P/CGcJALDY5f+AwPv/0KoCALBp6//gKOj/sGPs/8AXFADw2P//
atoms_z: cG7+/wAAAADAsCoAGAwnAID9DgAA6/b/0C8KAEBMBQDAcgkAULAYACDWEwCwxx4A
atoms_occupancy: 0
atoms_u_iso: YIYAAOB5AAAAlgAAoKUAAPCHAAAAfQAAQJwAAABxAgDAVwEAAHcBACDLAADAXQAA
atoms_aniso_label: ["Cul", "Cu2", "Bil", "Bi2", "V"]
atoms_aniso_u11: oFoAACA1AACAogAAgKIAABByAAA=
atoms_aniso_u22: cHsAADCOAADAXQAAsIEAAKBBAAA=
atoms_aniso_u33: 0J0AAMCoAAAArwAAEL0AAFDcAAA=
atoms_aniso_u12: gNr//8Dg//9g1///IOr//+DK//8=
atoms_aniso_u13: 0AcAAEAGAAAYAQAAsAQAALAEAAA=
atoms_aniso_u23: EA4AALDS//+g9v//wMf//yADAAA=
qdat:
AAAAAAAAAAAAAECABAAAAgACABBgEWAAIBAEAAAoIExFCQAUCQSBADJSQTE0GYAwrFqMLKHQKwBlRDtF36Zx9+b1S8PYOvchZ+f+n9qkG/v+33e83Qqbv9/83//Xv/9t/u+//f////72/7/zv//r+a//+tk//07/9/9/3Z==


formula: Fe2 P2 O11 N H9
compound: Synthetic
pub_title: Synthetic spheniscidite
formula_title: <missing>
a: 9.8232
b: 9.7376
c: 9.8716
alpha: 90
beta: 102.803
gamma: 90
cell_volume: 920.785
crystal_density: 2.689
atoms_occupancy: 0
atoms_aniso_label: ["Fe1", "Fe2", "P1", "P2", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "O11", "N"]
atoms_aniso_u11: 0GsAABByAADwbgAAoHMAADDAAADAwQAAQM4AAACWAACQlwAA4N0AAICJAACAiQAAMAsBAGC4AACgAwIAgDgBAA==
atoms_aniso_u22: MHUAAOB5AADwbgAAAGQAAOB5AACg1wAA4HkAAPDSAABguAAAcMYAAICJAACwFwEAQJwAAIAfAQDAVwEA4KUBAA==
atoms_aniso_u33: AGQAAFBfAACAcAAAAGQAADCnAADgqwAA0M8AAEBqAADQnQAAoHMAAECDAAAgmQAAgKIAACDFAQBgZwEAAPoAAA==
atoms_aniso_u12: 8AoAAFD7//9gCQAAUPv//2Dw///gRwAAwPn//9AgAABQ4v//YCIAAPDx///ARAAAEKr//+DK///gyv//UBQAAA==
atoms_aniso_u13: gAwAADARAABgIgAA4Pz//5Do//9AOAAAwF0AAFAUAAAQJwAA4OP//0AfAACg9v//IDUAAAAZAAAgmQAA4C4AAA==
atoms_aniso_u23: 4Pz//1D7//+g9v//sAQAABAnAAAQ3P//sOv//7Dr//8Azv//QAYAAFD7//+Q6P//0O7///BuAADgmP//AEsAAA==
atoms_sites:
["Fe1", "Fe2", "P1", "P2", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "O11", "N", "H1", "H2", "H3", "H4", "H5", "H6", "H7", "H8", "H9"]

atoms_x:
GLkkAMAiNgDomzAAsFswAGCxLwBQ+SkAcIwrAPCGLgDQWQMAcAMtAHCPHgCwKhsAAIkwAFAoHgAQjykAcCUfAKCuJADAox4A4IwaAICEHgAgBSEAgKgYAEALLQBg4isA4IwaAA==

atoms_y:
GCUOAJhLOgDwIQIAACwLAGB6AgBQ/QcA4AIYAIAfAQBQUfr/gE0KALDkFQDglhAAANovAGBCAwBAEzQAYI8LAEDpCAAgaxAAIKEHAACsDQAg1/7/oAMCAEDG+f/Amfb/YH4SAA==

atoms_z:
UB8TADgaNQCYCQkA6IcmAKCjKgAQMAsA4F4RAPBC///A5jAAcP8cALDfGgCgoQkAUBoxALADFQDgZxwAEL42AEBD+v8Av/X/4GT3/yBU//9AjxcA4LYTACCIIAAA7RcAICMcAA==

atoms_u_iso:
YG0AAPBuAABgbQAAYG0AAFCqAACgvgAA4KsAANCdAAAQpAAAEL0AAPCHAADgxAAAwMEAADA9AQBQiwEAIEgBAEANAwBADQMAgKkDAICpAwAAcQIAQA0DAABxAgDARQQAwEUEAA==

qdat:
AAAAAAAAAAAgAAAIAAAAQFAAYAEEGACABA8CEAZwICG2NhowfgEBxh7GM4lgl7h3k+fAW+NH79YO/7896z/vtyv/zj9x31//+vc/////v+///v/////////z//6//5/v93/f//Z+//r9//v+9m3/83t8v7/v5OzZuXd/kT==


formula: (Y.947 Dy.028 Er.018 Gd.007) P O6 H4
compound: Synthetic
formula_title: <missing>
a: 5.578
b: 15.006
c: 6.275
alpha: 90
beta: 117.83
gamma: 90
cell_volume: 464.488
crystal_density: 3.201
atoms_sites: ["Y", "Dy", "Er", "Gd", "P", "O1", "O2", "Wat3"]
atoms_x: QEIPAEBCDwBAQg8AQEIPAEBCDwDAbhIAQOIeAMBzJgA=
atoms_y: kJcyAJCXMgCQlzIAkJcyADAvFACQihcAoJAQAIAmBAA=
atoms_z: AAAAAAAAAAAAAAAAAAAAAAAAAAAArA0AgCAFAEBODQA=
atoms_occupancy: 4Mw5AIC1AQBAGQEAYG0AAAAJPQAACT0AAAk9AAAJPQA=
atoms_u_iso: MFwAADBcAAAwXAAAMFwAACDLAACAOAEAYOoAAMBXAQA=
atoms_aniso_label: ["Y", "Dy", "Er", "Gd", "P", "O1", "O2", "Wat3"]
atoms_aniso_u11: YDsAAGA7AABgOwAAYDsAAKCMAABAGQEAAH0AAMBXAQA=
atoms_aniso_u22: 4HkAAOB5AADgeQAA4HkAACDLAABAlgEAwFcBAEAZAQA=
atoms_aniso_u33: UF8AAFBfAABQXwAAUF8AAKAJAQCgCQEAYOoAAKCGAQA=
atoms_aniso_u12: AAAAAAAAAAAAAAAAAAAAAAAAAABAov//wOD//+AuAAA=
atoms_aniso_u13: AAAAAAAAAAAAAAAAAAAAAIA+AACAPgAAYPD//4C7AAA=
atoms_aniso_u23: AAAAAAAAAAAAAAAAAAAAAAAAAADgLgAAQB8AAIDB//8=
pub_title:
 Structure of a Y(1-x)(Gd,Dy,Er)xPO4*2H2O microcrystal using synchrotron radiation
 Note: anisoU's taken from ICSD
 Note: isostructural with gypsum

qdat:
AAAAAAAAAAAAAAgAAAAAAAIEAAABABAAACAgACAARBEACAggAgBCAIALIAIiCAgQgAIoKFVCaASEBKAMMiQADAoCUvIAAFSoQJIQSDJIgQYDzDaOAQgCLIgEC8BYqI4IcpIAlhRgEVckygieJQgIZdxMCFdgeWFyQ44JYC==


formula: Mo4 P4 Rb4 O22
compound: <missing>
pub_title: An Mo^V^ monophosphate, Rb2Mo2P2O11 _cod_database_code 1001613
formula_title: Mo2 O11 P2 Rb2
a: 9.973
b: 10.180
c: 10.012
alpha: 90
beta: 97.70
gamma: 90
cell_volume: 1007.304
crystal_density: 3.961
atoms_x: IBsVAKDYBAAAOBgAcLUHAAAAAABAgi4AwFIfAOBeEQDgKBoAEF0QAPASIAAA6gsAQBMbAEC6+/8waP7/wC0IAIAmBABgEw8A
atoms_y: YDYFAPCrEwBw2BYAIJoEAAAAAADATQsAUC4EAMB1/P/QHAkAIDwDAIDB///Q8QsAYJAPAMD9DwDALB0AEGYbAAAvDQAwrRgA
atoms_z: ADQIACD/CACwWhMA0JwVAAAAAADQtBEAUPAeAADoAwDgOv7/IFkTACB9DQDg2AUAINsOAIAmBACAnw0AcGIAADCyEwDAxRAA
atoms_occupancy: AAk9AAAJPQAACT0AAAk9AAAJPQAACT0AgIQeAAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0A
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
atoms_sites:
["Mo1", "Mo2", "P1", "P2", "Rb1", "Rb2", "Rb3", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "O11"]

qdat:
AAAAAAAAAACAAADAAAAgEQAUBAhgAEABKMCAYNgCMScGZI8wxPDAshmCbSGjN6z++evwPufG/DXv++v5/d/tF/vVe//L9/z9//T/7v3///2P+9/7/ee//9f///7+6///+//z2v/v7d9+9/Y390euBzbffl/wT1yzsqQF8Z==


formula: Ba3 Sc F7 O3 C
compound: <missing>
pub_title: A scandium fluorocarbonate, Ba3Sc(CO3)F7 _cod_database_code 1000361
formula_title: Ba3Sc(CO3)F7
a: 11.519
b: 13.456
c: 5.974
alpha: 90
beta: 90
gamma: 90
cell_volume: 925.968
crystal_density: 4.662
atoms_sites: ["Ba1", "Ba2", "Sc1", "F1", "F2", "F3", "O1", "O2", "C1"]
atoms_x: AAAAAFifDQAAAAAAYDUzAHDiJQAAAAAAAAAAAIAw+v8AAAAA
atoms_y: AMMFAFAvFwCAmSwAAAAAAKAULQCwBTYAAPQaADDPIwBApCAA
atoms_z: QEIPAEBCDwBAQg8AAAAAAMCu//9AQg8AQEIPAEBCDwBAQg8A
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: ["Ba1", "Ba2", "Sc1", "F1", "F2", "F3", "O1", "O2", "C1"]
atoms_aniso_u11: kJcAAEioAABwewAAQM4AANDPAADAVwEAQBkBACDLAABAnAAA
atoms_aniso_u22: MI4AALicAAAAfQAAYAMBAOD2AAAAfQAA4KsAACDLAABAnAAA
atoms_aniso_u33: 0J0AAKDNAAAAlgAAwMEAAKDwAACAOAEAgK8CAOAcAwAgxQEA
atoms_aniso_u12: AAAAAOjg//8AAAAAAAAAAKD2//8AAAAAAAAAANAgAAAAAAAA
atoms_aniso_u13: AAAAAAAAAAAAAAAAAAAAAEC7//8AAAAAAAAAAAAAAAAAAAAA
atoms_aniso_u23: AAAAAAAAAAAAAAAAUC0AAHDl//8AAAAAAAAAAAAAAAAAAAAA
qdat:
AAAAAAAAAAAAgAAEAAQAAQAEggAAICEQAIAjogIEgAEaAQTFAJewBQlQCB47AypLTVmRBI71n7eSeZBz2lWlzbVSdpX65rznaervr85GNTfH+2RedMF3ExXnX02ei5ndFpjuUlWZ0jLhRdcXhrmD86VIdOUzA2zfJlHYvl==


formula: Eu Na2 C O3 F3
compound: <missing>
pub_title: A new rare earth fluorocarbonate, Na2Eu(CO3)F3 _cod_database_code 1000362
formula_title: Na2Eu(CO3)F3
a: 6.596
b: 10.774
c: 14.09
alpha: 90
beta: 90
gamma: 90
cell_volume: 1001.310
crystal_density: 4.178
atoms_sites: ["Eu1", "Na1", "Na2", "C1", "O1", "O2", "O3", "F1", "F2", "F3"]
atoms_x: AKo8APDiDgCwsvz/gAwAADBcAACQJxsAMMX7/7BgEgCAuREAsBkJAA==
atoms_y: 2DALAGgJEQDglwAA0HkfADChGgAw4QcAALAdAIBUDQDQohQAQIsHAA==
atoms_z: QOIAAHibDwDo9RcAULUTAHC3DwDwFRMAwOAYAGBJBgAwjhkAcFQdAA==
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: ["Eu1", "Na1", "Na2", "C1", "O1", "O2", "O3", "F1", "F2", "F3"]
atoms_aniso_u11: IGwAABAhAQBwQwEAwKgAADA9AQDwgQEA8OsAAODEAAAQ7wAAwKgAAA==
atoms_aniso_u22: uGUAAKAJAQAgLwEA8KAAAFDcAAAgywAAsJoAABDvAAAA4QAAgKIAAA==
atoms_aniso_u33: eIIAAIDtAACABgEA0J0AAACvAABgHAEAcJQAAFCqAABwxgAAQDIBAA==
atoms_aniso_u12: 0AIAAFBfAABQyf//QAYAANAgAADAdgAAYAkAAFDi//8gNQAAwPn//w==
atoms_aniso_u13: QAEAACDq//8w3///4Pz//8D5//8gn///QB8AACADAABgIgAAUOL//w==
atoms_aniso_u23: kAEAAAAAAABgvv//cP7//5DP//+ADAAA0AcAAMASAABQRgAAwOD//w==
qdat:
AAAAAAAAAAAAAABAAAAEhCABEAQAA2ABAWg0IQhEwGieHCAOOxTWqNBX5j9cxf8cu8p987x3Lcf3/L+3/sX77P1+fzZ/J/M/v39/7m/5z7P9/5dvebu9r+7zzdb9Zr9/e+9Zz239/HH++mbb/v2dv6n3eNXll1v3evXKV6==


formula: K2 Fe Cl5 O H2
compound: Synthetic
formula_title: <missing>
a: 13.452
b: 9.631
c: 7.003
alpha: 90
beta: 90
gamma: 90
cell_volume: 907.282
crystal_density: 2.411
atoms_sites: ["K", "Fe", "Cl1", "Cl2", "Cl3", "Cl4", "O", "H"]
atoms_x: IJgVAND2BgCgVw0AUGkPAOBgAABYYAYAgHb//yDd/f8=
atoms_y: 8CMAAEBCDwBAQg8AQEIPAEBCDwDAOgAAQEIPACA6FAA=
atoms_z: wB80AFAzMQCQygQAMOIkAOCBIABQsDEAcA08ABCxAgA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: ["K", "Fe", "Cl1", "Cl2", "Cl3", "Cl4", "O", "H"]
atoms_aniso_u11: EIsAAOBgAABgbQAA0FIAAEBqAABQeAAAYJ8AAOAiAgA=
atoms_aniso_u22: cHsAADBDAADwhwAA0GsAAFB4AADQUgAA8G4AAKAJAQA=
atoms_aniso_u33: kJcAAFBfAACwaAAAQGoAACCAAABwlAAAQM4AAKADAgA=
atoms_aniso_u12: QAYAAAAAAAAAAAAAAAAAAAAAAACQAQAAAAAAAOAuAAA=
atoms_aniso_u13: IOr//6APAAAg6v//oA8AACDq//9AHwAAsGgAAGBtAAA=
atoms_aniso_u23: sAQAAAAAAAAAAAAAAAAAAAAAAABABgAAAAAAAECJ//8=
pub_title:
 Single-crystal pulsed neutron diffraction structure of the antiferromagnet
 K2[FeCl5(H2O)] with and without applied pressure
 Sample: P = .1 MPa
 Sample: T = 15 K

qdat:
AAAAAAAAAAAAAAAEBAEggGAAQACGABDQBiEJShgURCBWE0Tkuw+GRuSmsmFtcpfz+3qvOp9P8Xr3//u9/+/79y7/f//v/bz9Xf5//X/3t///3Xz/3/v3u//7/fuf49//te/3f+v8/2/v9/vf5f/5f/b/n5f//nxdv3+7n1==


formula: K2 Fe Cl5 O H2
compound: Synthetic
formula_title: <missing>
a: 13.391
b: 9.648
c: 6.942
alpha: 90
beta: 90
gamma: 90
cell_volume: 896.881
crystal_density: 2.439
atoms_sites: ["K", "Fe", "Cl1", "Cl2", "Cl3", "Cl4", "O", "H"]
atoms_x: gKEVAOAEBwCgcA0AcGwPABBZAADoZgYAcIH//8DT/f8=
atoms_y: ECcAAEBCDwBAQg8AQEIPAEBCDwBAPQAAQEIPAHA1FAA=
atoms_z: 0PszABAtMQCQygQA0L8kAIB4IACQtjEAkCk8AEDCAgA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: ["K", "Fe", "Cl1", "Cl2", "Cl3", "Cl4", "O", "H"]
atoms_aniso_u11: 8G4AAKBBAAAAZAAAMEMAABByAAAAfQAAkJcAAGDkAQA=
atoms_aniso_u22: sIEAAHBJAAAwjgAAsIEAAMB2AACAVwAAwHYAAOAoAQA=
atoms_aniso_u33: 8IcAAMBdAAAwXAAAoFoAAJBlAACQfgAAwKgAAOAiAgA=
atoms_aniso_u12: MPj//wAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAMBdAAA=
atoms_aniso_u13: YPD//7AEAAAA5///wBIAAKD2///QIAAAAEsAAKCMAAA=
atoms_aniso_u23: cBcAAAAAAAAAAAAAAAAAAAAAAACwBAAAAAAAAACD//8=
pub_title:
 Single-crystal pulsed neutron diffraction structure of the antiferromagnet
 K2[FeCl5(H2O)] with and without applied pressure
 Sample: P = .14 GPa
 Sample: T = 15 K

qdat:
AAAAAAAAAAAAAAACAgCgQCAAIABFAAyYAwiLaQwSIhBMhQ3zUYViVlo7dRExNlOe+f4p/kv//NOd2/9n73f//6vv/df1/fbbu9///3v//b///3/f36vf////3u/e/+/7/e6t3/bv//7ve+3/vu67j3/v7v2n7/+09u/r+x==


formula: Ca V2 P2 O9
compound: <missing>
pub_title: Ca V2 O (P O4)2, isotypic with the Cd phase _cod_database_code 1001656
formula_title: Ca O9 P2 V2
a: 14.192
b: 6.424
c: 7.317
alpha: 90
beta: 90
gamma: 90
cell_volume: 667.087
crystal_density: 3.464
atoms_sites: ["Ca1", "V1", "V2", "P1", "P2", "O1", "O2", "O3", "O4", "O5", "O6", "O7"]
atoms_x: OGoNAFAqFwAAAAAAsJQLAPBoGgDgWRYAgBAQAJAVHgAgWA8AoBwbAGDd/v+w1AcA
atoms_y: QEIPAMDGLQCAhB4AwMYtAEBCDwCguBoAwMYtAMDGLQDAxi0AwMYtAEBCDwBQxSEA
atoms_z: UAMHAJAWCQAAAAAA4OsGAGBWCADgzAcAgGn9/5B+AAAwjBEAcPEWAGCuCgDAnQYA
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAABAQAAAEChAAAYACEAgTDABaAEGAQhM4JuQaMAsWiG1j6NwjejlE/vXa1oW+5X+Lon83TTn4Pb7uXTPdv/CGvt9//31fudfv3zXW/u/ud2/9e/duf29n/679+v9/V9m3/87f/z/W/f//9335fzxrrZ//f==


formula: Li Ga Si2 O6
compound: Synthetic
pub_title: Low-temperature form of LiGaSi2O6 Sample: T = 273 K Note: anisoU's from ICSD
formula_title: LiGaSi2O6
a: 9.5394
b: 8.5756
c: 5.2508
alpha: 90
beta: 110.124
gamma: 90
cell_volume: 403.324
crystal_density: 3.769
atoms_sites: ["Li", "Ga", "SiA", "SiB", "O1A", "O2A", "O3A", "O1B", "O2B", "O3B"]
atoms_x: cCEPAGhHDwBw4gIAWHIhAAC8NADAAQcAEJkGAFA/FgBQxiUAAAMlAA==
atoms_y: UMMAAJC7JwCIzBQAYE4zAOBMFACQQR8AcAIQAADhMgDQhAAAMJksAA==
atoms_z: IHcOADigDgAwYBAAUGkPAOBcCQDAHRMAgLciAMAtCADw8BQAoMwfAA==
atoms_occupancy: 0
atoms_u_iso: APoAAJg/AAAQQAAAgD4AAABLAAAwdQAAYG0AAEBRAADAdgAAYIYAAA==
atoms_aniso_label: ["Li", "Ga", "SiA", "SiB", "O1A", "O2A", "O3A", "O1B", "O2B", "O3B"]
atoms_aniso_u11: YOoAAHg8AADQOQAA0DkAAGA7AAAwdQAA4EcAAIA+AADwhwAAoFoAAA==
atoms_aniso_u22: gDgBANhKAADQUgAAkEwAAJBlAABgbQAAwKgAAIBwAACAcAAAQM4AAA==
atoms_aniso_u33: wNoAAAg5AACwNgAAYDsAAGA7AAAQiwAA8FUAADBDAAAggAAAgHAAAA==
atoms_aniso_u12: wOD//5ABAADA+f//EPX//+D8//8Q3P//4Pz//+D8//8Azv//gAwAAA==
atoms_aniso_u13: wF0AAKgWAAAAGQAAkBoAAIAMAAAQQAAA4BUAAFAUAADgRwAAMCoAAA==
atoms_aniso_u23: YPD//zACAABw/v//cP7//+D8///A+f//oCgAALAEAABQ4v//YFQAAA==
qdat:
AAAAAAAAAAACAAAABAAAAAAIEAIgAAQAIBAgBQEAAAOEwBBBJoSBBKAgYAEuYgQKDIQiYjUQBWYE51JQIxSO+tZk6HMj92MMvn+AumudL+nYvzfPdPBZj9N99i/Z86/s6vP//u19v1p97t+vJf97nSfm9fs/vV/a+7+rfT==


formula: Zr W2 O8
compound: <missing>
pub_title: Zirconium tungstate _cod_database_code 1000396
formula_title: ZrW2O8
a: 9.1546
b: 9.1546
c: 9.1546
alpha: 90
beta: 90
gamma: 90
cell_volume: 767.217
crystal_density: 5.081
atoms_sites: ["Zr1", "W1", "W2", "O1", "O2", "O3", "O4"]
atoms_x: MN4tANBqFQCQkgUA4LsOABAEPAAgqhIAYAwMAA==
atoms_y: MN4tANBqFQCQkgUA4LsOABAEPAAAiBMAMH4LAA==
atoms_z: MN4tANBqFQCQkgUA4LsOABAEPADQ1yAA0G06AA==
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAAAABAABAACAAgAAAIAIAAAgCAQBAABAQEBAQICAAgQIEACCACCCCCCEAIQQhBCAQhCEIgCIBAIgEJCIiAiISIgIkREgIkQIgSRIkCRJIgCSRIJJBIEglEFJJIRKEQkkCAUVIISlASlICIKEIEiQIQI==


formula: Mg2 B2 O5
compound: Synthetic
pub_title: Monoclinic Mg2B2O5
formula_title: <missing>
a: 9.197
b: 3.1228
c: 12.303
alpha: 90
beta: 104.26
gamma: 90
cell_volume: 342.460
crystal_density: 2.914
atoms_sites: ["Mg1", "Mg2", "B1", "B2", "O1", "O2", "O3", "O4", "O5"]
atoms_x: cD4GAIBOJwDQzhUAsEUKAFBBHgBgwg8AwAILABC8/P9QVxIA
atoms_y: 0AQNAJASEgCAFfL/QBXY/8AMz/9ACO//gG0NACA97v/A/+X/
atoms_z: IFcLALCbNgCw0RQAIE38/6BcCABQiA4AcNMCACBKCQAwxfv/
atoms_occupancy: 0
atoms_u_iso: gFcAAJBlAAAgTgAAIE4AAPBuAACgWgAA8G4AAJBlAADQawAA
atoms_aniso_label: ["Mg1", "Mg2", "B1", "B2", "O1", "O2", "O3", "O4", "O5"]
atoms_aniso_u11: AH0AALBoAADAXQAAwF0AAOAuAADAXQAAoIwAAMBdAADAXQAA
atoms_aniso_u22: wF0AAGBtAABgbQAAgD4AAAB9AADAXQAAAH0AAAB9AADgqwAA
atoms_aniso_u33: sDYAAHBiAACAPgAAwF0AAKCMAAAgTgAAgD4AAIA+AACAPgAA
atoms_aniso_u12: AAAAAODj//8AAAAAAAAAAKAPAACgDwAAYPD//6APAAAg0f//
atoms_aniso_u13: IBwAANAgAADgLgAA4C4AAEAfAAAAAAAAoA8AAGDw//9AHwAA
atoms_aniso_u23: EA4AAPDx//+APgAAYPD//wAAAABAHwAAoA8AAEAfAAAAAAAA
qdat:
AAAAAAAAAAABAAAAAEAAAAAEAAAAAAAACACcAJACBgCgAAhgGAAiiAiUCCDIQAFCRYgiQo0woMiHBLlaURWiAr0RxcA5MG4AI7QVip7PwKVGw9H9IedU+tmpyCb0s1Ed9VumMXbZzPqtb61f/2nPmRVt3JOfVsHJdKdVrS==


formula: Na Ga Si2 O6
compound: <missing>
pub_title: Low-density form of NaGaSi2O6 Note: anisoU's from ICSD
formula_title: NaGaSi2O6
a: 9.5573
b: 8.7019
c: 5.2705
alpha: 90
beta: 107.637
gamma: 90
cell_volume: 417.726
crystal_density: 3.894
atoms_sites: ["Na", "Ga", "Si", "O1", "O2", "O3"]
atoms_x: AAAAAAAAAABgxREAANYGALDkFQDwhhUA
atoms_y: UFcSAAgMNwBgkAUAMMEEAMDLDwCQlwAA
atoms_z: QEIPAEBCDwAgLA4AYCQIAKBrEgDAdgAA
atoms_occupancy: 0
atoms_u_iso: UMMAAJhJAAAwQwAAEFkAAMB2AABAagAA
atoms_aniso_label: ["Na", "Ga", "Si", "O1", "O2", "O3"]
atoms_aniso_u11: UPUAAMBEAADQOQAAoEEAAECDAADgRwAA
atoms_aniso_u22: EIsAAJBMAABQRgAAQGoAAABkAAAQiwAA
atoms_aniso_u33: cJQAAFBGAADARAAAsE8AANCEAABwYgAA
atoms_aniso_u12: AAAAAAAAAADg/P//MPj//zDf//+QAQAA
atoms_aniso_u13: QO3//1gMAAAQDgAAIAMAACA1AACADAAA
atoms_aniso_u23: AAAAAAAAAAAAAAAA8AoAAFD7///g4///
qdat:
AAAAAAAAAAAAAAAACAAAAAAggAAAAIABAIAAEBAAACBABAggwAgAkIAAAAnBBIBCABEhgoBFQhBZhABAIsAYQiRJYBhsggim4CEhWQiVbBTmAkYNQC1p2/EGpFWdCuBI9GOCrXrjiQKtxCtKoZYjPapFgW4GbBGwdVDrrJ==


formula: Sn3 O4 H2
compound: Synthetic
pub_title: Tin(II) oxyhydroxide by X-ray powder diffraction
formula_title: <missing>
a: 7.9268
b: 7.9268
c: 9.1025
alpha: 90
beta: 90
gamma: 90
cell_volume: 571.948
crystal_density: 4.902
atoms_sites: ["Sn1", "Sn2", "O2", "O-H1"]
atoms_x: IG8HAAAAAAAgDvr/4OcPAA==
atoms_y: 0M0RAAAAAAAQ3wsAQH4FAA==
atoms_z: oMT//9DTEABQywcAII8KAA==
atoms_occupancy: 0
atoms_u_iso: 4KUBAAD0AQDgKAEA4CgBAA==
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAAAAAECAAAAgAAIAAGACAAAgAsAAAJAJAEgCAiAAFgWCgCB4UAQIGAwoMhgckBHiAhUYOUEHOJDHirHOkUwd/QjbC9YXYj+2Z+DO5u859i+W417d+/Xqxoz2f8TYvR7v9If6b28rU+72P1uudW2dDzj00j==


formula: Ba3 Ga2 N4
compound: <missing>
pub_title: Ba3 Ga2 N4 _cod_database_code 1005032
formula_title: Ba3 Ga2 N4
a: 6.2010
b: 10.511
c: 10.070
alpha: 90
beta: 90
gamma: 90
cell_volume: 656.350
crystal_density: 6.147
atoms_sites: ["Ba1", "Ba2", "Ga1", "Ga2", "N1", "N2"]
atoms_x: sMYGAEBCDwBAQg8AQPwJAMALFgAAEwEA
atoms_y: WAEVAAAAAAAAAAAAQEIPADD0CAAw1AUA
atoms_z: GL83AJg/NwAIAw4AQEIPAJDRBwDgGhQA
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: ["Ba1", "Ba2", "Ga1", "Ga2", "N1", "N2"]
atoms_aniso_u11: QGoAAECcAACQTAAA4EcAAOCrAADgqwAA
atoms_aniso_u22: YJ8AAJDiAABwYgAA8FUAAMBdAAAAfQAA
atoms_aniso_u33: gKIAAKCMAAAAZAAAcHsAAOCrAADgqwAA
atoms_aniso_u12: uN7//9A5AABg8P//AAAAAKAPAACAwf//
atoms_aniso_u13: AAoAAAAAAAAAAAAAAAAAAEAfAACAPgAA
atoms_aniso_u23: COT//wAAAAAAAAAAAAAAACDR//8g0f//
qdat:
AAAAAAAAAAAAAAIAAAABhAQAAAAAVAACCJAVDAATXCAQMw4ggSRCSunGUSZH54JqAcNnPkG7nfipHue+99b0/Xf8zf9H9O33+z1f7//f0//7p/19ffZf+f2//e6//39/v/71379/j35+3fv691/P3199v/n/733z+9c+OW==


formula: Mo P2 Li O7
compound: <missing>
pub_title: Li Mo P2 O7 _cod_database_code 1001767
formula_title: Li Mo O7 P2
a: 4.8984
b: 8.3919
c: 7.034
alpha: 90
beta: 109.33
gamma: 90
cell_volume: 272.846
crystal_density: 3.370
atoms_sites: ["Mo1", "P1", "P2", "Li1", "O1", "O2", "O3", "O4", "O5", "O6", "O7"]
atoms_x: cPsMAOCYGACQcTAAIKUwADBKAwCQUhgAABsIAMCrJQCwqg4AcGskAPCsMAA=
atoms_y: gIQeAOAFCwCwZhEAgDcWAACIEwBgoykAcMQqADBvGgAAmxQAELkJAHDOIAA=
atoms_z: 0McNAJDDAQAgmRkAIBwyAIAFFgCw4AUAcDwXACDLGQDQawAAcOkPAFB4AAA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: ["Mo1", "P1", "P2", "O1", "O2", "O3", "O4", "O5", "O6", "O7"]
atoms_aniso_u11: cEkAAKBaAADAXQAAAH0AAMDaAADgqwAAYG0AAAB9AAAgywAAAH0AAA==
atoms_aniso_u22: IDUAAHBJAADAXQAA4KsAAGBtAABAnAAAoIwAACBOAABgbQAAwF0AAA==
atoms_aniso_u33: sE8AANBSAADQUgAAgDgBAOCrAAAgTgAAYOoAAKCMAAAAfQAAoIwAAA==
atoms_aniso_u12: UPv//zD4//9w/v//YPD//6APAABAHwAAQB8AAEAfAAAg0f//QB8AAA==
atoms_aniso_u13: 8CMAAGAiAABwFwAAoIwAAAB9AABAHwAAYPD//+AuAABAHwAAoA8AAA==
atoms_aniso_u23: MPj//7Dr//+ADAAAIE4AAEAfAABg8P//INH//8Dg//8g0f//AAAAAA==
qdat:
AAAAAAAAAAAAAAABAAAAQACAAhAAAEAGACgAAAAAaAACEIQoAhAiKERAAAZgYAAQuAJJhigAKNDCGzJDESCFJCAcDhWFNIjWGroJSxoVu6Y7LbvRFctPqG4JvTkFzTV9HfsTGWZbn361Xukab9P/97s3Ue6zzF238z7f9l==


formula: P1.02 V1.98 O8 N2
compound: <missing>
formula_title: (NH4)2(VO)(VP)O7
a: 8.6233
b: 8.6233
c: 5.6384
alpha: 90
beta: 90
gamma: 90
cell_volume: 419.279
crystal_density: 2.285
atoms_sites: ["P1", "V1", "V2", "O1", "O2", "O3", "O4", "N1"]
atoms_x: aJAWAGiQFgAAAAAAgIQeALCTFgAw1yoAgIQeANBhCgA=
atoms_y: GPQHABj0BwAAAAAAgIQeANDwBwAQchkAAAAAALAiFAA=
atoms_z: qOADAKjgAwCQngMAwPgUAAD/FADgi/3/IN39/6C0IwA=
atoms_occupancy: wCAfAEDoHQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQA=
atoms_u_iso: 0
atoms_aniso_label: ["P1", "V1", "V2", "O1", "O2", "O3", "O4", "N1"]
atoms_aniso_u11: 4KsAAMB2AADAqAAAwNQBANBlAQBg0QAA4JkDAKD9AgA=
atoms_aniso_u22: 4KsAAMB2AADAqAAAwNQBANBlAQBg5AEA4JkDAKD9AgA=
atoms_aniso_u33: QGoAAKCGAQDwHQEAYGcBAIA4AQBAEwIAoAkBACDFAQA=
atoms_aniso_u12: gMH//8D5//8AAAAAAAAAAGA7AACQZQAAAAb//0CWAQA=
atoms_aniso_u13: AAAAANCj//8AAAAAAAAAALAEAACA8///AAAAAAAAAAA=
atoms_aniso_u23: AAAAADBcAAAAAAAAAAAAAFD7//9waP//AAAAAAAAAAA=
pub_title:
 (NH4)2(VO)(VP)O7, a layered structure comprising tetrahedral VPO7 groups
 _cod_database_code 1001731

qdat:
AAAAAAAAAAAAAAAAAQEAAAAAIIAQAAEABAIAAQIgAgCBIAgEEAiEgEJCAMIADRoECNACiABQRRIxRDQwgFGOAJ4FOEcClENTiRDiURKhnMREiExmjGnUjRmCU25NipFuwYp83SdNn4vbDKbNpEat8/Nl3MFnfY4lNgZKtV==


formula: K2 Mn2 Be3 F12
compound: Synthetic
pub_title: A new langbeinite: dipotassium dimanganese tetrafluoroberyllate Note: anisoU's from ICSD
formula_title: K2Mn2(BeF4)3
a: 10.075
b: 10.075
c: 10.075
alpha: 90
beta: 90
gamma: 90
cell_volume: 1022.669
crystal_density: 2.878
atoms_sites: ["K1", "K2", "Mn1", "Mn2", "Be", "F1", "F2", "F3", "F4"]
atoms_x: UHwLADCWGwAgUxQA6FIkAMApEQBwawsAUMMZAKAsEAAgqQ4A
atoms_y: MAgTALAaOgAgUxQA6FIkAKAlJgAwNSwAADYpABCfHgBQ0iMA
atoms_z: 0AAqANByIQAgUxQA6FIkADCDHwCggBsAICofAPA2GgDg7ScA
atoms_occupancy: 0
atoms_u_iso: 8DACAPCUAgCQLQEAwAwBAEAZAQCgegMA4JkDAADiBABAigMA
atoms_aniso_label: ["K1", "K2", "Mn1", "Mn2", "Be", "F1", "F2", "F3", "F4"]
atoms_aniso_u11: 8DACAICWAgCQLQEAwAwBAIA4AQBg5AEAIEgBACCtBQBAAQUA
atoms_aniso_u22: 8DACAICWAgCQLQEAwAwBACBIAQBgWwMAQA0DAGDYAwAA6AMA
atoms_aniso_u33: 8DACAICWAgCQLQEAwAwBACDLAADAPwUAQHgGACAwBQAgxQEA
atoms_aniso_u12: QDgAAHAwAADAx///AAAAAIA+AAAAdwEAgMH//8BdAADgqwAA
atoms_aniso_u13: wMf//5DP///Ax///AAAAACBOAACgDwAAoJL//6CS//8AdwEA
atoms_aniso_u23: QDgAAJDP///Ax///AAAAAACD//9g5AEAAPQBAGCF/P9g6gAA
qdat:
AAAAAAAAAAAAAAAAAAgABAAQAEAAAIAQAAEAgEBAAEBAQIECBABAgggAggBCCEIQgCEIQiEAhEQiIBEBARARESIgRIiRAkSREEiQJBJEkgkkkgEklBJISEgpISklCShIUkCBKVBEqQKlQIRQhBQoEQIiCQABRCACAAiAgA==


formula: Ca5 As3 O12 Cl
compound: Synthetic
pub_title: Chlorapatite: Ca5(AsO4)3Cl Note: anisotropic temperature factors taken from ICSD
formula_title: <missing>
a: 10.076
b: 10.076
c: 6.807
alpha: 90
beta: 90
gamma: 120
cell_volume: 598.498
crystal_density: 3.621
atoms_sites: ["Ca1", "Ca2", "As", "O1", "O2", "O3", "Cl"]
atoms_x: VVgUAOB4EABI/hgA8IMJALCiIADwbRUAAAAAAA==
atoms_y: q7AoAIA+DwAY4QEAEAMfAOA0GADAcQUAAAAAAA==
atoms_z: IE4AAEBCDwBAQg8AQEIPAEBCDwDwQwMAcLUHAA==
atoms_occupancy: AAk9AAAJPQAACT0AAAk9AAAJPQAACT0AgIQeAA==
atoms_u_iso: cK0AABCkAABAagAAAOEAAEC1AADgDwEAoFQBAA==
atoms_aniso_label: ["Ca1", "Ca2", "As", "O1", "O2", "O3", "Cl"]
atoms_aniso_u11: cMYAADCOAAAgZwAAgFcAANBrAACgnwEAQM4AAA==
atoms_aniso_u22: cMYAAJCwAACwTwAAIMsAAGBUAABA5wAAQM4AAA==
atoms_aniso_u33: AH0AAPCgAADQhAAAAPoAAEAyAQAg/QAAYGECAA==
atoms_aniso_u12: cGIAAOBHAAAwKgAAENz//4AMAAAA4QAAIGcAAA==
atoms_aniso_u13: AAAAAAAAAAAAAAAAAAAAAAAAAAAAUf//AAAAAA==
atoms_aniso_u23: AAAAAAAAAAAAAAAAAAAAAAAAAACAwf//AAAAAA==
qdat:
AAAAAAAAAAAAgAAAAAAEBAAAgBAAEABBAgAIgQAwAEAIYAgKgAGCoQEggwEAiE60QojEENEJgmKyEDuSTwEQkssHqEDRoyG/k2y7RTkn2r2ms24o8O8FynVah5V/bq1o8t+0S+XYux+239vT9n+0vz7FPxeS12u9Q2vNG8==


formula: Sr2 Fe2 F10 O H2
compound: <missing>
pub_title: Sr2Fe2F10*(H2O), the first hydrated strontium iron(III) fluoride _cod_database_code 1000441
formula_title: Sr2Fe2F10*(H2O)
a: 7.848
b: 19.86699
c: 10.773
alpha: 90
beta: 90
gamma: 90
cell_volume: 1679.685
crystal_density: 3.914
atoms_sites: ["Sr1", "Sr2", "Fe1", "Fe2", "F1", "F2", "F3", "F4", "F5", "F6", "F7", "O1", "H1"]
atoms_x: QEIPAAAAAABAQg8AAAAAAKArDACwqg4A8NARAAAAAAAAAAAAAAAAAAAAAAAAAAAAQPsFAA==
atoms_y: wCQRAAhGBwB4dRwAwCULACAnGAAgfwsAwAsCACBfEgCA/AoAALYcAHghEQAQIgUAcDcDAA==
atoms_z: QEIPABCiGwBAQg8AwOYDAMBGCADAwgQAQL0HAICuFwBAEA8AoKMRADA4BgCA4QIA4BAFAA==
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: ["Sr1", "Sr2", "Fe1", "Fe2", "F1", "F2", "F3", "F4", "F5", "F6", "F7", "O1"]
atoms_aniso_u11: 0GsAAEBqAAAAfQAAEHIAAADhAABQeAAAENYAAMDaAABAGQEA4JIAAKBzAADA2gAA
atoms_aniso_u22: ILIAALCBAAAgZwAAcHsAAMDBAACQ4gAAYAMBAAD6AACAOAEAoAkBAICJAABgVAAA
atoms_aniso_u33: UKoAAFCRAACQlwAAIIAAAFDcAACwSQEAEJ4BAECcAAAwpwAAgDgBAGDqAABgZwEA
atoms_aniso_u12: AAAAAAAAAAAAAAAAAAAAAIAMAABQFAAAgNr//wAAAAAAAAAAAAAAAAAAAAAAAAAA
atoms_aniso_u13: EPX//wAAAACw6///AAAAAMDg//+QAQAAoPb//wAAAAAAAAAAAAAAAAAAAAAAAAAA
atoms_aniso_u23: AAAAAKD2//8AAAAAIAMAAPDY//8Azv//MKcAAIDa//9AHwAAYPD///Dx///gLgAA
qdat:
AAAAAAAAAAEAAAIAAIAEAgRQQACAKAIyEwiKgQBQMsUpxCEQJDTKjuIY1J4psD1RZtpm3eL+sx82tOPzmPf69zjTfv3s8hs17X1+fKaunftevyVbTyRe6Fm9nejOOroytnGEdXZrk8+u2OV3JUoRSkZMASFLhCDBQiCQA4==


formula: Cu4 S O10 H6
compound: Socorro, New Mexico, USA
pub_title: Brochantite
formula_title: <missing>
a: 13.0870
b: 9.8350
c: 6.015
alpha: 90
beta: 103.330
gamma: 90
cell_volume: 753.336
crystal_density: 3.988
atoms_occupancy: 0
atoms_aniso_label: ["Cu1", "Cu2", "Cu3", "Cu4", "S", "O1", "O2", "O4", "O7", "O9", "O10"]
atoms_aniso_u11: MI4AAHDGAABQqgAAwMEAAECcAADgLgAA4KsAAOCrAACgjAAAgLsAAOAoAQA=
atoms_aniso_u22: 8LkAALCzAADQnQAAMKcAAAB9AAAAfQAAIMsAAIC7AACAOAEA4CgBAIA4AQA=
atoms_aniso_u33: kLAAANDPAADgkgAAkJcAACDLAAAgywAAoIwAAECcAADA2gAAwNoAAAB9AAA=
atoms_aniso_u12: wOD//7Dr//+Q6P//UOL//wAZAACgDwAAYPD//2Dw///A4P//wOD//6APAAA=
atoms_aniso_u13: 0CAAAHAwAADgLgAAgCUAAHAXAACAPgAAYPD//0AfAAAgTgAAYG0AAGDw//8=
atoms_aniso_u23: sAQAAADn///Q7v//4Pz//0Dt///gLgAAYPD//2Dw///A4P//4LH//4A+AAA=
atoms_sites:
["Cu1", "Cu2", "Cu3", "Cu4", "S", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "H1", "H2", "H3", "H4", "H5", "H6"]

atoms_x:
0PARAFAvEgAANQcAQFQHALCmFwAQuAUA0AIFAIDQCQBwdwkAsPUOAHDeFQCwAhEAQF0XAHALGwAg9xoAMNMBAAAyAAAQgAYAUCIGAOAFCwBgUxUA

atoms_y:
8OwdAIDuHQBw6Q8A0KcPADAUDACQAwgA8CUIAJA/FwDgUxcAEEkkAGBzGAAw2wgAcEgVANAcCQBwRQkAgHgHAEAuCgAwuhoA4J8bAEDwJACASRMA

atoms_z:
IMAfAAB3AQCgGAsAAMwpAFBREwBAgxkAwAc4AIATHACA3DkAIPQOAOACMQAg7g8AAAsTAMCqCACgQyEAYGwVAACpMwDAShgAkA84AFAjCgDQfS8A

atoms_u_iso:
wKgAAFDDAABAnAAAUKoAAICiAAAAfQAAgLsAAECcAADgqwAA4KsAAIC7AADA2gAAIMsAAMDaAAAA+gAAoIwAACDLAADgqwAAIMsAAIC7AAAgywAA

qdat:
AAAAAAAAQAAAAEAAEAACBIBBCABBAgQADgMJiIMRoTOIgDYDgasBkrKiQeny6IGp3zqeeYkH7Zn37vNT29Xum9x1y9+/tuX193+9r+779rn//Py//a7d/8Uv99u29+v9+z//+/f8v+/3fI0f7+Lfef5+fp+OT/6Zot/689==


formula: C O2
compound: Synthetic
pub_title: Carbon dioxide at 1.0 GPa Sample: P = 1.0 GPa
formula_title: CO2
a: 5.4942
b: 5.4942
c: 5.4942
alpha: 90
beta: 90
gamma: 90
cell_volume: 165.849
crystal_density: 1.763
atoms_sites: ["C", "O"]
atoms_x: AAAAAPBdBwA=
atoms_y: AAAAAPBdBwA=
atoms_z: AAAAAPBdBwA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: ["C", "O"]
atoms_aniso_u11: 6EICAOgtAwA=
atoms_aniso_u22: 6EICAOgtAwA=
atoms_aniso_u33: 6EICAOgtAwA=
atoms_aniso_u12: 0GYAAECY//8=
atoms_aniso_u13: 0GYAAECY//8=
atoms_aniso_u23: 0GYAAECY//8=
qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAQAAACAAACAAAAAABAAAQAAAAAQAAgACAAIAAAAQAEABAAgAQAIAIAAAIAIAQAgAACAEAABAEAQBAIAgEAAEAgEAgEBAIAAgEBAgEBAQAEBAAIABAQAECBAgQIEACBAgQ==


formula: (Ca4.5 Nd.5) (P2.55 Si.45) O12.14 F.77
compound: Synthetic
pub_title: A neodymium-substituted britholite compound
formula_title: Ca9Nd(PO4)5(SiO4)F1.5O.25
a: 9.3938
b: 9.3938
c: 6.9013
alpha: 90
beta: 90
gamma: 120
cell_volume: 527.405
crystal_density: 3.482
atoms_sites: ["Ca1", "Nd1", "Ca2", "Nd2", "P", "Si", "O1", "O2", "O3", "O4", "F"]
atoms_x: VVgUAFVYFADIjQ4AyI0OAKBCGACgQhgAkNQTAGDgIwDQ1BQAAAAAAAAAAAA=
atoms_y: q7AoAKuwKAA4dzwAOHc8AFiCFgBYghYAUJIdADB8HACQoQ8AAAAAAAAAAAA=
atoms_z: +AcAAPgHAABAQg8AQEIPAEBCDwBAQg8AQEIPAEBCDwBQRwQAQDASAEBCDwA=
atoms_occupancy: AJg6AABxAgCAfTQAgIsIAEDhMwDAJwkAAAk9AAAJPQAACT0AwEUEAED/LgA=
atoms_u_iso: cLcAAHC3AADgpgAA4KYAABhqAAAYagAA0OgAAAATAQCgCQEAcMYAAKAJAQA=
atoms_aniso_label: ["Ca1", "Nd1", "Ca2", "Nd2", "P", "Si", "O1", "O2", "O3", "O4", "F"]
atoms_aniso_u11: cNoAAHDaAABo2AAAaNgAAHB7AABwewAA8IcAAJDcAQCgCQEAkBQBAOCrAAA=
atoms_aniso_u22: cNoAAHDaAAAYnAAAGJwAAGBtAABgbQAAwKgAAMDzAACgCQEAwMEAAOCrAAA=
atoms_aniso_u33: EHIAABByAACwgQAAsIEAAABkAAAAZAAAcHUBAHCtAACAOAEAkMkAACDFAQA=
atoms_aniso_u12: OG0AADhtAAA4XgAAOF4AAMBEAADARAAA8DwAANDoAAAAfQAAAK8AANBSAAA=
atoms_aniso_u13: AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAPB0//8AAAAAAAAAAAAAAAA=
atoms_aniso_u23: AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAADCt//8AAAAAAAAAAAAAAAA=
qdat:
AAAAAAAAAAAABAAAAAABAAIAACAgABIAAggAAKCBAEAACCEYBQCEICgERAQjDAgDKg5AWDASoUEIExLTYhCwnSgAkyU6pC6hQSZUW7wo6oEpOqslU2tVJlpt0XheUm1vyPrtySbqX9e8Votb8l1vW+L3vZ9Ozef0Pnb7HZ==


formula: Ca4 Al2 O20 C H22
compound: <missing>
pub_title: A cementitious compound with composition 3CaO*Al2O3*CaCO3*11H2O _cod_database_code 1000459
formula_title: Ca4Al2(OH)12CO3*5H2O
a: 5.7747
b: 8.4689
c: 9.923
alpha: 64.77
beta: 82.75
gamma: 81.43
cell_volume: 433.025
crystal_density: 2.180
atoms_occupancy: 0
atoms_u_iso: 0
atoms_sites:
["Ca1", "Ca2", "Ca3", "Ca4", "Al1", "Al2", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "O11", "O12", "O13", "O14", "O15", "O16", "O17", "O18", "O19", "O20", "C1", "H1", "H2", "H3", "H4", "H5", "H6", "H7", "H8", "H9", "H10", "H11", "H12", "H13", "H14", "H15", "H16", "H17", "H18", "H19", "H20", "H21", "H22"]

atoms_x:

atoms_y:

atoms_z:

atoms_aniso_label:
["Ca1", "Ca2", "Ca3", "Ca4", "Al1", "Al2", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "O11", "O12", "O13", "O14", "O15", "O16", "O17", "O18", "O19", "O20", "C1"]

atoms_aniso_u11:
cHsAAFB4AADgeQAAkH4AAFBfAAAgZwAAgLsAAACvAAAQiwAAEIsAAFCqAACQyQAA4JIAAICJAADQnQAAoKUAADCnAACgpQAA0JcBAHBDAQBQiwEAIHoBANB4AgDQlwEAoNcAAOBBAQBwxgAA

atoms_aniso_u22:
sJoAAHCUAAAgmQAAAJYAAFB4AACgcwAAIJkAALCaAABgnwAAUJEAAGCfAABwrQAA0J0AAKCMAADAqAAAgNQAAIC7AABQwwAAAMIBAEAyAQAgYQEAIN4BAFCkAQCg0QEAMD0BACBhAQAwCwEA

atoms_aniso_u33:
0GsAAPBuAABgbQAA0GsAACBOAACwTwAAkJcAAOB5AACwswAAsLMAAMB2AAAwjgAAAH0AALCaAADQawAAQFEAAEBRAACwaAAA4PABALB7AQCQXwEAsHsBAKCGAQCAagEAEGwBAMBwAQBwEQEA

atoms_aniso_u12:
kAEAANDu///g/P//0O7//+D8///g/P//gNr//1Di//8AGQAAsAQAAJDo//8Q3P//wBIAAAAAAAAw+P//sB0AACAcAAAQ9f//ADIAAIDB//8wrf//0AcAAFD7//9g8P//QNT//2C+//9AHwAA

atoms_aniso_u13:
0NX//+Dj//+w0v//MN///zDf///g4///UOL//2DX//8Azv//MN///3DM//+g3f//QNT//yDq///Q1f//YNf//4Da//8Q3P//YHP//3Dl//9gCQAAkLb//2C+//9AcP//YL7//xDc///A4P//

atoms_aniso_u23:
QO3///Dx///Q7v//EPX//0Dt//9g8P//YL7//1DJ//+Qtv//YL7//1DJ///Ax///gMH//9DV///gyv//gMH//1DJ//9Qyf//kAf//yBU//8Aav//wDH//5A5//8we///IG3//2BB//8gO///

qdat:
AAAAAAAAAAACADAAAAIAATAIAgIGCACIgAFQFRkFAaasFCJBMgjVSIy94kMgqdvZS6tinb4MrO//1+97M9eUt7zvv93ft31f37+67f2/e+/a//7/X779//37fd7T7/f/vX+/fv/f//vtV482//+/l/vdq7Hn/y1+9l7fH+==


formula: In P O6 H4
compound: <missing>
pub_title: Monoclinic InPO4*2H2O Note: H positions from ICSD
formula_title: In(PO4)*2H2O
a: 5.4508
b: 10.2229
c: 8.8830
alpha: 90
beta: 91.50
gamma: 90
cell_volume: 494.818
crystal_density: 3.300
atoms_sites: ["In", "P", "O1", "O2", "O3", "O4", "Ow1", "Ow2", "H1a", "H1b", "H2a", "H2b"]
atoms_x: mP4YACiN+v+wXgoAgLn4//Dz7v+gP/j/cPMFAPAXGwCAkQcAoCf8/wD/FACguiIA
atoms_y: MCUUAIAmCQCgggoAAGENALCEDADgFQAA8MYbAOBAFgAgiCAAgBMcAIBDFACAwBQA
atoms_z: qG0SADAfCwDQQw8AMNMBALCxEQCQEAoAAK0RADDHAwDAdBEAQK0SAECi//+AOAEA
atoms_occupancy: 0
atoms_u_iso: GJIAAGiDAAAg/QAA4A8BADDZAACwzAAAYN4CACCTAQDgHAMA4BwDAOAcAwDgHAMA
atoms_aniso_label: ["In", "P", "O1", "O2", "O3", "O4", "Ow1", "Ow2"]
atoms_aniso_u11: wIAAAFB4AADQnQAA4KUBAODEAACAogAAkJcAAND7AQA=
atoms_aniso_u22: eJEAAGCGAABwxgAAYAMBAFAOAQBwewAA0LYAACD3AQA=
atoms_aniso_u33: OKQAAKCMAAAAkAEAYIYAABC9AACwSQEAAFMHAFDDAAA=
atoms_aniso_u12: aPz//2AJAACw6///AEsAAGBUAADgFQAA4C4AAKDE//8=
atoms_aniso_u13: 8AUAAGAJAAAQw///wCsAAIAlAADw8f//4JIAADDf//8=
atoms_aniso_u23: gPj//1D7//8wxv//0CAAABAOAACg9v//8KAAAKD2//8=
qdat:
AAAAAAAAAAAAAAACAAAQEBACAiAAQADQFAAARgOBBhiEAeDYIQhsMBSo6CEBgeXKovWgDSjFmD2sXU5Fz/9U09i/Q5Hd9v/5++3fz3t/3/vr/t/rfXvf+1+/33+3P7b73P3V3/fn3b7L/99b3/3v6+7e3/9t/t59un7Z//==


formula: Gd3 Ga O6
compound: <missing>
pub_title: Gd3GaO6 by X-ray powder diffraction _cod_database_code 1000024
formula_title: GaGd3O6
a: 8.9928
b: 11.2809
c: 5.48116
alpha: 90
beta: 90
gamma: 90
cell_volume: 556.047
crystal_density: 7.615
atoms_sites: ["Gd1", "Gd2", "Ga", "O1", "O2", "O3", "O4"]
atoms_x: wMoLAAAAAAAAAAAA4HUJAEChFAAAAAAAAAAAAA==
atoms_y: mHoGAGAoGAAw4gsAAFUPACDLAACg/QIAQFQMAA==
atoms_z: GEUbAFCXGAAAAAAAYCsLAOBdDQBgMQoAIFgoAA==
atoms_occupancy: 0
atoms_u_iso: gAwAAIAMAACwBAAAgD4AAIA+AACAPgAAgD4AAA==
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAABAAAEAAAAIQACAABQAAAAKQQQABhEBDAEBGAQECKACAAR0IQkoFAgNKFREaBPgfBCTwLyucgeXUOUINVzynaIA6p8nZ+35Fx2jUhC+/lO13w/7xRQM3+lWbR3uqxVuF8pM8paGV85C79Orhpg3VEXNsJ==


formula: K3 Na Fe Cl6
compound: Synthetic
pub_title: Rinneite, K3Na[FeCl6], at 293, 84 and 9.5 K Sample: T = 293 K
formula_title: <missing>
a: 12.033
b: 12.033
c: 13.863
alpha: 90
beta: 90
gamma: 120
cell_volume: 1738.344
crystal_density: 2.343
atoms_sites: ["K", "Na", "Fe", "Cl"]
atoms_x: ALwRAAAAAAAAAAAAuPsKAA==
atoms_y: VVgUAAAAAAAAAAAAgKYBAA==
atoms_z: CBYFAEBCDwAAAAAAKJAGAA==
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: ["K", "Na", "Fe", "Cl"]
atoms_aniso_u11: AJABAOAJAgDoAgEAMD0BAA==
atoms_aniso_u22: QH0BAOAJAgDoAgEA0LABAA==
atoms_aniso_u33: 0LABAAATAQAg5AAAAEUBAA==
atoms_aniso_u12: 8L4AAPAEAQBggQAAENEAAA==
atoms_aniso_u13: wNb//wAAAAAAAAAAANj//w==
atoms_aniso_u23: WK3//wAAAAAAAAAAmPn//w==
qdat:
AAAAAAAAAAAAAAAAAIQAAAAAAQACEAUBAABAIgAIQEAgEI4QEAIIcSEIExiQIaBmSQqESSVBnQil8oVRlDajUHw6pLFieBrIQ5QsfTq1HxvlK0MmRNdT59eNARtTunBc4ZnMB9YgoEY1NkDTDCkBTIJgjQAkCSKDAEAkAC==


formula: K3 Na Fe Cl6
compound: Synthetic
pub_title: Rinneite, K3Na[FeCl6], at 293, 84 and 9.5 K Sample: T = 84
formula_title: <missing>
a: 11.9220
b: 11.9220
c: 13.761
alpha: 90
beta: 90
gamma: 120
cell_volume: 1693.865
crystal_density: 2.405
atoms_sites: ["K", "Na", "Fe", "Cl"]
atoms_x: kK4RAAAAAAAAAAAAsAgLAA==
atoms_y: VVgUAAAAAAAAAAAAgKsBAA==
atoms_z: CBYFAEBCDwAAAAAAaJYGAA==
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: ["K", "Na", "Fe", "Cl"]
atoms_aniso_u11: sIYAAEi3AADIVQAAUG4AAA==
atoms_aniso_u22: EIEAAEi3AADIVQAA8JEAAA==
atoms_aniso_u33: EIsAAPBfAACASAAA6GwAAA==
atoms_aniso_u12: iEAAALhbAAD4KgAAyEYAAA==
atoms_aniso_u13: CPP//wAAAAAAAAAA0PP//w==
atoms_aniso_u23: OOb//wAAAAAAAAAAqP3//w==
qdat:
AAAAAAAAAAAAAAAAAEIAAAAAAIABBAFAgAAQCIACCBAIBCGCAgCBDiRBAmMSBCQMSREoRSSkGVCKXqhVGUGrNQKhqSVNE8DWIhyg0mm82OxrpTYKmRtdS0tbFAQ7JmTgucI1SA6sQaCEVTZA4wwpASSDUEcAJAiRQoBAEg==


formula: K3 Na Fe Cl6
compound: Synthetic
pub_title: Rinneite, K3Na[FeCl6], at 293, 84 and 9.5 K Sample: T = 9.5 K
formula_title: <missing>
a: 11.8930
b: 11.8930
c: 13.735
alpha: 90
beta: 90
gamma: 120
cell_volume: 1682.450
crystal_density: 2.421
atoms_sites: ["K", "Na", "Fe", "Cl"]
atoms_x: 6KsRAAAAAAAAAAAAWAsLAA==
atoms_y: VVgUAAAAAAAAAAAAIKwBAA==
atoms_z: CBYFAEBCDwAAAAAAWJcGAA==
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: ["K", "Na", "Fe", "Cl"]
atoms_aniso_u11: gFIAACBxAAA4NgAACEgAAA==
atoms_aniso_u22: UFAAACBxAAA4NgAAaFYAAA==
atoms_aniso_u33: YFkAAEBRAABAOAAAyFAAAA==
atoms_aniso_u12: KCgAAJA4AAAwGwAAWCoAAA==
atoms_aniso_u13: aPz//wAAAAAAAAAAAPv//w==
atoms_aniso_u23: qPj//wAAAAAAAAAAYP///w==
qdat:
AAAAAAAAAAAAAAAAACIAAAAAAEAAhAEgQAAQCEACCAgEAiHCAgBBBhIggSGJAhIGKIiUUpFUDKRJRZJFjKCzmYLQypKmheBqkI5QWKp1aj0TSk6HJEdVUuVXRQIbSZk4NnCVUgNrEHAhDYmQOMIKQCkgzBFACIEkUGAIAo==


formula: Al As O6 H4
compound: Synthetic
pub_title: Synthetic mansfieldite, AlAsO4*2H2O Sample: T = 298 K
formula_title: <missing>
a: 8.8218
b: 9.8252
c: 10.1163
alpha: 90
beta: 90
gamma: 90
cell_volume: 876.840
crystal_density: 3.059
atoms_sites: ["Al", "As", "O1", "O2", "O3", "O4", "Ow5", "Ow6", "H51", "H52", "H61", "H62"]
atoms_x: aBYJAOAsAgDQtgAAsNL//3BGDQBQ5/r/MO8NAPBgEwDAmAsAINwSAOAtFQBgARIA
atoms_y: oP8KABCP9//A7QEAgL7z/8Cf9f9AvvL/IIgHAHBKBABAYAoAQPUGACCtBQCgmP7/
atoms_z: 6M4HAFApCQDQuAgAAFwSAICwBgBgrAIA4A0SACBuAwBAmxUAIF8SAMBj//8gPAMA
atoms_occupancy: 0
atoms_u_iso: wHYAAMBdAABQkQAAYJ8AAKClAAAArwAAAK8AADDZAAAA4gQAgDICAKADAgBg3gIA
atoms_aniso_label: ["Al", "As", "O1", "O2", "O3", "O4", "Ow5", "Ow6"]
atoms_aniso_u11: gIkAAKBuAABAnAAAQM4AAGBtAACAuwAAYJ8AAJD7AAA=
atoms_aniso_u22: IGcAAJBMAADgRwAAQJwAAPBuAACg1wAA0OgAAECcAAA=
atoms_aniso_u33: oHMAAHhfAADA2gAAwHYAAKAJAQAAfQAA0IQAADDyAAA=
atoms_aniso_u12: UPv//6AAAADg/P//UOL//5AaAACwoP//gD4AALAEAAA=
atoms_aniso_u13: 0AcAAFAFAADg/P//0AcAAEAfAACwuf//IOr//+AuAAA=
atoms_aniso_u23: 0AcAAKgCAAAg6v//cDAAAJAaAACwBAAAEPX//wAAAAA=
qdat:
AAAAAAAAAAAAAAAAAAAgCIADAA0AgCAFgMAiACkFEYHhNEcOnjEB7iyGk/6cDRx7z7u5UpP+5Zat8x93rmf+9/7Je/VfP3/3/fV+//9/////////9///v9f///P/3r/P9f/7/+//3ZP+3//e/8/K28dd+8umtF91zQlR7p==


formula: K2 Cr2 O7
compound: <missing>
pub_title: Beta-K2Cr2O7 Note: dimorphic with lopezite
formula_title: K2Cr2O7
a: 13.0339
b: 7.375
c: 7.4672
alpha: 90
beta: 91.923
gamma: 90
cell_volume: 717.380
crystal_density: 2.724
atoms_sites: ["K", "Cr", "O1", "O2", "O3", "O4"]
atoms_x: aNUIAFA9GADo8hoA6JkUAICEHgDoixMA
atoms_y: 6DEJAEijCgBwvhIA4CYSALChAwDgjAEA
atoms_z: kLQVAOg8CAAA7f7/wPcQAEBCDwDgAwMA
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: ["K", "Cr", "O1", "O2", "O3", "O4"]
atoms_aniso_u11: AA0CAOBBAQDgCQIAMFACAACQAQCwQwIA
atoms_aniso_u22: 4FQCACBhAQDgbQIA0EYCADCIAQAAPwIA
atoms_aniso_u33: oJ8BAHBDAQAQtwEA0LABAPAXAgBw7AIA
atoms_aniso_u12: gKj//2jZ//9ws///gIkAAAAAAAAAUf//
atoms_aniso_u13: IAMAAKAtAADQawAAIIAAAEAfAACAj///
atoms_aniso_u23: 0Lz//3js///AdgAAQO3//wAAAACgq///
qdat:
AAAAAAAAAAAAAAAAoAAAACAAAAAAoAACTAACAAAAwADIAOAAQgBRACAAzA3gXABMIuAgAAO0ZBE2fBIBYFi4wd7JBOL48AYuOBUTLM6vgBRe8AO5QO2vE15hGatW+rDLzE30w+9i4xIV/NvzFvdV8Z59PrMLfyrpKmwbya==


formula: Pb1.5 C O4 H
compound: Synthetic
pub_title: Synthetic hydrocerussite, 2PbCO3*Pb(OH)2 by X-ray powder diffraction
formula_title: <missing>
a: 5.2465
b: 5.2465
c: 23.702
alpha: 90
beta: 90
gamma: 120
cell_volume: 565.008
crystal_density: 6.839
atoms_sites: ["Pb1", "Pb2", "C", "O1", "O-H2"]
atoms_x: AAAAAGDlNwAAAAAAgEs0AOAd7v8=
atoms_y: AAAAAKAayP8AAAAAgLTL/yDiEQA=
atoms_z: 8CANAAAZAAAARRoA4FoaAIA4AQA=
atoms_occupancy: AAk9ADgsCgAACT0AAAk9AEhYFAA=
atoms_u_iso: wAwBAPBPAQCAtQEAgLUBAECcAAA=
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAAAAIAAAAAAAAAECAEAAgAAgAAAAAEBAAwAAAIhAJAQAAAEIAgAASAFBAAAIQMAAAgIAAABAgASQggACQIAKBRAAIBADAxAASEAAhAABAAMCIAJEAqUgBQgKGQAggACAAIgVIgDEAIgAIAUSAIQAEACIHRAMQ==


formula: Li In Si O4
compound: <missing>
pub_title: LiInSiO4: a new monovalent-trivalent olivine
formula_title: LiInSiO4
a: 4.8448
b: 10.5043
c: 6.0634
alpha: 90
beta: 90
gamma: 90
cell_volume: 308.574
crystal_density: 4.603
atoms_sites: ["Li1", "In2", "Si", "O1", "O2", "O3"]
atoms_x: AAAAAFC1OwCQ4hkAcP0tAED+EQBQlRAA
atoms_y: AAAAAPjTEABIcQUA8P8FAPC4/P/gAQoA
atoms_z: AAAAAEBCDwBAQg8AQEIPAEBCDwBgkwIA
atoms_occupancy: 0
atoms_u_iso: QDIBAFhNAABwTgAAYG0AADB1AABwewAA
atoms_aniso_label: ["Li1", "In2", "Si", "O1", "O2", "O3"]
atoms_aniso_u11: 4CgBALhlAACQZQAAoHMAAFB4AADQhAAA
atoms_aniso_u22: wFcBAOBHAACgQQAAoFoAAKBBAABwlAAA
atoms_aniso_u33: QBkBAEg6AADARAAAUHgAADCnAAAQWQAA
atoms_aniso_u12: wOD//wgCAABQ+///YPD//0Dt//8gHAAA
atoms_aniso_u13: QKL//wAAAAAAAAAAAAAAAAAAAACADAAA
atoms_aniso_u23: gMH//wAAAAAAAAAAAAAAAAAAAADAEgAA
qdat:
AAAAAAAAAAAAAAAAAAAAgAAAAAACAIAAAAUAAAABBAgQIIECEAEAFAAIQgBFAIBCIAgVRgoBIlUhQAoJBEyikIFhTlbcoTCUHlGLFYrGUfM6uFi4+XqY86B3YebVuJNQPblT8y/KmXbn5vFzj01rsi2+67A3Xv6Hf+3u3R==


formula: K N O3
compound: Synthetic
pub_title: Superstructure of a-phase potassium nitrate
formula_title: <missing>
a: 10.825
b: 18.351
c: 6.435
alpha: 90
beta: 90
gamma: 90
cell_volume: 1278.310
crystal_density: 2.101
atoms_sites: ["K1", "K2", "K3", "N1", "N2", "N3", "O1", "O2", "O3", "O4", "O5", "O6", "O7"]
atoms_x: AAAAAICEHgAgPw8AAAAAAICEHgCQPQ8AAAAAAICEHgDwGAYAsFUYACAxCQDwOxUA4B8PAA==
atoms_y: GHQZAFhwGQCwLAoAsCcPANARDwCwYx4AcAcLAMDpCgDgRREAECURAJBtIAAQeiAAgDgaAA==
atoms_z: wOQPAGD0DwCAUg8A8LkZAACvGQBwjwUAwEQZAKBBGQDgqxkAgO0ZAIABBgAAeAUAELgFAA==
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: ["K1", "K2", "K3", "N1", "N2", "N3", "O1", "O2", "O3", "O4", "O5", "O6", "O7"]
atoms_aniso_u11: IKwBAOC+AQBgmQEAIEgBAMBRAgBAlgEAwFECACC/AgBg5AEAQJYBACDFAQCAtQEAIL8CAA==
atoms_aniso_u22: QK8BAGCyAQCAtQEAwNQBAIAyAgBg5AEAYOQBAKCGAQBg3gIAIL8CAIAyAgAgQgIAAPQBAA==
atoms_aniso_u33: UFMCAAAmAgDgOwIAgLUBAOAoAQAAdwEA4JkDAICvAgBAkAIA4JkDAKB6AwBABwQAgCwDAA==
atoms_aniso_u12: AAAAAAAAAAAAAAAAAAAAAAAAAABgbQAAAAAAAAAAAACgkv//oIwAAEAfAACgkv//INH//w==
atoms_aniso_u13: AAAAAAAAAABABgAAAAAAAAAAAAAg0f//AAAAAAAAAACAwf//4C4AAIDB///AXQAAAAAAAA==
atoms_aniso_u23: 0O7///Dx//+ADAAAAAAAAMDg//9g8P//oA8AAEAfAADgsf//wGP//2Dw//9AHwAAIFT//w==
qdat:
AAAAAAAAAAAYAAAAAAALAAFAAEACgFQAED0AAFiOKQEF4iBRGMUr2DREw4m7J8qMFStN1vPWINJa3+KVKLZ2mx3z+Bf6U6t96e9O+9+PUrz3R3uhbW2Ty/Ds90eBS6i4PVyi6XuFul680D00NgTJxXIXocKcRU4YgXTRpN==


formula: Ce Nb O4
compound: Synthetic
pub_title: Tetragonal CeNbO4 at 1073 K in air and in vacuo Sample: in vacuo
formula_title: <missing>
a: 5.37119
b: 5.37119
c: 11.58104
alpha: 90
beta: 90
gamma: 90
cell_volume: 334.109
crystal_density: 5.905
atoms_sites: ["Ce", "Nb", "O"]
atoms_x: AAAAAAAAAABI4AkA
atoms_y: QEIPAEBCDwCoGx4A
atoms_z: oCUmACChBwAQ1AwA
atoms_occupancy: 0
atoms_u_iso: UA4BAOAPAQAA2wEA
atoms_aniso_label: ["Ce", "Nb", "O"]
atoms_aniso_u11: sDABAMDaAABg/QEA
atoms_aniso_u22: sDABAMDaAABg/QEA
atoms_aniso_u33: IMsAAJB4AQCQkQEA
atoms_aniso_u12: AAAAAAAAAAAgIv//
atoms_aniso_u13: AAAAAAAAAAAwdQAA
atoms_aniso_u23: AAAAAAAAAABAV///
qdat:
AAAAAAAAAAAAAAAAAAAAAEAAAAAAAAAAAoAAQAAgAAAAEAAAAIAIAQAQAAAQBABAMAwAAABAIAgIBAgAAgQCDAwQAAAgIAOAABBAQwIAAIIEEEIAAIIQwgAgACGIAQhiEAARDCIACEIwiAQjEYAAQiIACAiEgEhERAAGBE==


formula: Ce Nb O4
compound: Synthetic
pub_title: Tetragonal CeNbO4 at 1073 K in air and in vacuo Sample: in air
formula_title: <missing>
a: 5.37692
b: 5.37692
c: 11.59514
alpha: 90
beta: 90
gamma: 90
cell_volume: 335.230
crystal_density: 5.885
atoms_sites: ["Ce", "Nb", "O"]
atoms_x: AAAAAAAAAAAI3wkA
atoms_y: QEIPAEBCDwDwGR4A
atoms_z: oCUmACChBwCI1AwA
atoms_occupancy: 0
atoms_u_iso: EAgBAFAOAQBw2QEA
atoms_aniso_label: ["Ce", "Nb", "O"]
atoms_aniso_u11: wCUBADDZAAAg9wEA
atoms_aniso_u22: wCUBADDZAABw8gEA
atoms_aniso_u33: sMwAAEB9AQDAogEA
atoms_aniso_u12: AAAAAAAAAABwHf//
atoms_aniso_u13: AAAAAAAAAAAwdQAA
atoms_aniso_u23: AAAAAAAAAABgWv//
qdat:
AAAAAAAAAAAAAAAAAAAAAEAAAAAAAAAAAoAAQAAgAAAAEAAAAQAIAQAgAAAQBACAYBQAAABAIBAIBAgABAwGFBgQAABAQAMAABBARQQAAIQMIIQAAQYghABAAEMQAhBCIAAhCEQACIIhEAhCIwAAhEIAIBERAIiJEAAIGQ==


formula: Mg Na V5 O24 H20
compound: Synthetic
pub_title: Mg2Na2V10O28*20H2O and Mg3V10O28*28H2O
formula_title: <missing>
a: 23.8384
b: 11.0248
c: 16.9332
alpha: 90
beta: 118.005
gamma: 90
cell_volume: 3929.177
crystal_density: 2.387
atoms_occupancy: 0
atoms_sites:
["Mg", "Na", "V1", "V2", "V3", "V4", "V5", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "O11", "O12", "O13", "O14", "O15", "O16", "O17", "O18", "O19", "O20", "O21", "O22", "O23", "O24", "H15A", "H15B", "H16A", "H16B", "H17A", "H17B", "H18A", "H18B", "H19A", "H19B", "H20A", "H20B", "H21A", "H21B", "H22A", "H22B", "H23A", "H23B", "H24A", "H24B"]

atoms_x:

atoms_y:

atoms_z:

atoms_u_iso:

atoms_aniso_label:
["Mg", "Na", "V1", "V2", "V3", "V4", "V5", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "O11", "O12", "O13", "O14", "O15", "O16", "O17", "O18", "O19", "O20", "O21", "O22", "O23", "O24"]

atoms_aniso_u11:
IIAAAJCRAQAQYwAAQGUAABhbAADIUAAAiFkAACCyAABAtQAAEIsAAECDAADgeQAA8G4AAIBwAABghgAAEHIAAGCGAACAcAAAoHMAAIBwAACAcAAAoAkBANC2AADwbgAAgO0AALCzAABggAEA0DMBAODEAACwswAAUFMCAA==

atoms_aniso_u22:
0GsAAPDrAAAgRAAAMD4AAAhhAABgdwAA0EgAAEBqAAAgZwAAsLMAAPDrAABQeAAAkH4AALCBAAAwXAAAsGgAACBnAAAQcgAA8FUAANBSAAAgTgAAUHgAAECcAADwuQAAIIAAAHDGAACgcwAAMNkAAIDUAABwxgAAkLAAAA==

atoms_aniso_u33:
AGQAAACWAACoawAAkGAAAMhkAADQUgAA+EMAAPDSAAAwpwAAEKQAAFB4AADwbgAAIE4AAGBtAABAgwAAwHYAACCAAADwbgAAAGQAAPBVAAAQWQAA4HkAAMB2AAAQiwAA0IQAANBrAABQeAAAwPMAAKAiAQBwrQAAwKgAAA==

atoms_aniso_u12:
MPj//2Bz///YCQAAYPX//9j///+Q/P//YP///+AVAABA7f//cP7//4Dz//9w/v//YAkAANAHAADQBwAAMBEAAGDw//+A8///UPv//0AGAAAgAwAAkM///0DU//+g9v//MPj//3D+//+wHQAAAAAAAHDM///gRwAAYHP//w==

atoms_aniso_u13:
4C4AAIBXAABAMwAAUC0AAJAzAADwGQAA+CUAAFBfAAAQWQAAUF8AANAgAABgOwAAYCIAAOAuAABQRgAAwCsAAABLAACAJQAAcDAAADAqAADAKwAA0FIAAKAPAABAOAAA4Pz//4A+AAAQiwAAEEAAAMB2AADAEgAAgO0AAA==

atoms_aniso_u23:
sAQAADDG//94BQAAMP3//wgCAAAYBgAASAMAAKAPAAAgAwAAQAYAAIAMAADg/P//gAwAAMASAACwBAAAUBQAAOD8///g/P//QAYAAEAGAADQBwAAIAMAAOAuAAAQJwAAUPv//+D8//+ADAAAcLP//+Dj//+g9v//YL7//w==

qdat:
AAAAAAAAAAiAAAgAACApSEACgCGEoxKAYRJYQRnJGJxURla1qLFbNepm+n/4v/mX7fbvS+/n3af+vf3b2uc+9/XW+vd3/P493+5vNT+9eqfyh04dVbqDap4FKzgYA5QIQEQoAACCAAAAQAAAAAAAAAAAAAAAAAAAAAAAAA==


formula: Mg3 V10 O56 H54.684
compound: <missing>
pub_title: Mg2Na2V10O28*20H2O and Mg3V10O28*28H2O
formula_title: Mg3V10O28*28H2O
a: 10.4834
b: 10.7309
c: 21.2293
alpha: 90.751
beta: 97.866
gamma: 103.663
cell_volume: 2296.239
crystal_density: 2.218
atoms_sites:
["Mg1", "Mg2", "Mg3", "V1", "V2", "V3", "V4", "V5", "V6", "V7", "V8", "V9", "V10", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "O11", "O12", "O13", "O14", "O15", "O16", "O17", "O18", "O19", "O20", "O21", "O22", "O23", "O24", "O25", "O26", "O27", "O28", "O29", "O30", "O31", "O32", "O33", "O34", "O35", "O36", "O37", "O38", "O39", "O40", "O41", "O42", "O43", "O44", "O45", "O46", "O47", "O48", "O49", "O50", "O51", "O52", "O53", "O54", "O55A", "O55B", "O56A", "O56B", "H29A", "H29B", "H30A", "H30B", "H31A", "H31B", "H32A", "H32B", "H33A", "H33B", "H34A", "H34B", "H35A", "H35B", "H36A", "H36B", "H37A", "H37B", "H38A", "H38B", "H39A", "H39B", "H40A", "H40B", "H41A", "H41B", "H42A", "H42B", "H43A", "H43B", "H44A", "H44B", "H45A", "H45B", "H46A", "H46B", "H47A", "H47B", "H48A", "H48B", "H49A", "H49B", "H50A", "H50B", "H51A", "H51B", "H52A", "H52B", "H53A", "H53B", "H54A", "H54B", "H55A", "H55B", "H56A", "H56B"]

atoms_x:

atoms_y:

atoms_z:

atoms_occupancy:

atoms_u_iso:

atoms_aniso_label:
["Mg1", "Mg2", "Mg3", "V1", "V2", "V3", "V4", "V5", "V6", "V7", "V8", "V9", "V10", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "O11", "O12", "O13", "O14", "O15", "O16", "O17", "O18", "O19", "O20", "O21", "O22", "O23", "O24", "O25", "O26", "O27", "O28", "O29", "O30", "O31", "O32", "O33", "O34", "O35", "O36", "O37", "O38", "O39", "O40", "O41", "O42", "O43", "O44", "O45", "O46", "O47", "O48", "O49", "O50", "O51", "O52", "O53", "O54", "O55A", "O56A"]

atoms_aniso_u11:

atoms_aniso_u22:

atoms_aniso_u33:

atoms_aniso_u12:

atoms_aniso_u13:

atoms_aniso_u23:

qdat:
AAAAAgAAAAoEQAEoQEIIxghJJyIaIhR4547ilzFJ3vH13u09K1/f77+4f//3vu//f//n8//V3f/v7/39/3//39/f+9d++373n/f3///l/v/27/v577//v//733///7/+v3+nzL5b7/ftu8vn43GuGqglD8tpXhrRRmEUMh==


formula: Ca Zn Si2 O6
compound: Synthetic
pub_title: A comparison of the clinopyroxene compounds CaZnSi2O6 and CaZnGe2O6
formula_title: <missing>
a: 9.7955
b: 8.9781
c: 5.251
alpha: 90
beta: 106.033
gamma: 90
cell_volume: 443.836
crystal_density: 3.856
atoms_sites: ["Ca", "Zn", "Si", "O1", "O2", "O3"]
atoms_x: AAAAAICEHgBAfBEA4B0HALD9FQAYXxUA
atoms_y: 6EESAGjAGAC4pgUA0GsFAAAjDwDAJQEA
atoms_z: QEIPAEBCDwDIAQ4AIM0IAECnEwCQnf//
atoms_occupancy: 0
atoms_u_iso: 6IAAAMhfAADIPAAAEFkAAAB9AADgYAAA
atoms_aniso_label: ["Ca", "Zn", "Si", "O1", "O2", "O3"]
atoms_aniso_u11: QIMAADBcAAAgNQAAYDsAADCOAADARAAA
atoms_aniso_u22: YJ8AAMB2AABgVAAA8IcAAMB2AADAjwAA
atoms_aniso_u33: cEkAAOBHAAAAMgAAcEkAAOB5AAAgTgAA
atoms_aniso_u12: AAAAAAAAAADg/P//IAMAANDV///w8f//
atoms_aniso_u13: oPb//7AOAADgFQAA4BUAAHAwAABwFwAA
atoms_aniso_u23: AAAAAAAAAACg9v//QAYAAJABAACQ6P//
qdat:
AAAAAAAAAAAAAAAAQAAAAAQIAAAACAAQQAAICAAAAEACEICKIAQiQAAARShIAQEBEGGQCEiECsRIABjQCMEiAPStcgBCjOC1CLtMVITLkmpl6AVIVzOJCKn1jKcVXTXNVwH06wNaRZlk+wh/gyqQIa5FyFyi2V41CyhIFE==


formula: Ca Zn Ge2 O6
compound: Synthetic
pub_title: A comparison of the clinopyroxene compounds CaZnSi2O6 and CaZnGe2O6
formula_title: CaZnGe2O6
a: 10.1659
b: 9.0096
c: 5.4369
alpha: 90
beta: 105.181
gamma: 90
cell_volume: 480.592
crystal_density: 4.791
atoms_sites: ["Ca", "Zn", "Ge", "O1", "O2", "O3"]
atoms_x: AAAAAICEHgAQYREAYK0GALAgFgAI3RUA
atoms_y: mIwSAIjrGADY+QUAwKMFAID3DwDgvgEA
atoms_z: QEIPAEBCDwAAzw0AMEUIAGDWFABwBP//
atoms_occupancy: 0
atoms_u_iso: +IkAAHCFAACQWwAAUHgAAOCrAAAwjgAA
atoms_aniso_label: ["Ca", "Zn", "Ge", "O1", "O2", "O3"]
atoms_aniso_u11: cJQAAGCGAACwTwAAoFoAAPDSAAAwdQAA
atoms_aniso_u22: QIMAAFCRAACwaAAAYIYAALCBAADAwQAA
atoms_aniso_u33: 4HkAAPBuAABgVAAA8IcAADCnAABwewAA
atoms_aniso_u12: AAAAAAAAAAAg/v//MPj//+Cx//8g6v//
atoms_aniso_u13: EA4AAOAQAABoCwAAABkAAKAoAADgLgAA
atoms_aniso_u23: AAAAAAAAAADQ/f//kAEAAFDi//9wzP//
qdat:
AAAAAAAAAAAAAAABAAAAAIAQAAAEAACEAAgAEAABQADEAEUICAiQAAGQTAEgAIBS0CIQQGBCFAAHAgBRMDvxhbhlEIJEsgfdGZCOyU+bAVqWh5eAfdCG4leKDPvNSde/mSGZKu6ruZl90moaoiDuGzFmYbe0xNwGCs16dR==


formula: Ca8.424 Na1.16 V P7 O28
compound: Synthetic
pub_title: A new whitlockite, Ca8.42Na1.16V(PO4)7
formula_title: <missing>
a: 10.3273
b: 10.3273
c: 37.098
alpha: 90
beta: 90
gamma: 120
cell_volume: 3426.531
crystal_density: 3.140
atoms_sites:
["Ca1", "Ca2", "Ca3", "Na1", "Na2", "V", "P1", "P2", "P3", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10"]

atoms_x:
KCQdAJB3DABQYTAAAAAAAFBhMABVWBQAq7AoADilHQDAngoAq7AoAMAqGgA4ex8AoNEQAEgmDwAQ9AAAyKcmAPjnHwA47woAGAgXAA==

atoms_y:
2I45AAhcMgD48SQAAAAAAPjxJACrsCgAVVgUAEgEHQAIgjQAVVgUAMAbMwAQ2BwAeOY8ANhJLgAY0i4AOJIhAMj2EwDo1TcAOEYTAA==

atoms_z:
SGUWAKCCHgBQCRoA4OAbAFAJGgDwlRoAWIcWAJBsHAD4oxgA8AoZACjPHABo+xkAsDgXALh/GAAowBcAyKsdACizFQCo+xoAUDMdAA==

atoms_occupancy:
ACE5AAAhOQAAITkAQLMRAECzEQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AA==

atoms_u_iso:
2IYAAPB9AABYegAAQLUAAFh6AAAQXgAAGGoAAJhdAAB4ZAAAsLMAAACWAADwhwAA0IQAAPCgAACAuwAAgLsAAMDaAACg1wAAoKUAAA==

atoms_aniso_label:
["Ca1", "Ca2", "Ca3", "Na1", "Na2", "V", "P1", "P2", "P3", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10"]

atoms_aniso_u11:
0IkAAIiLAAAwXAAAoL4AADBcAAAwVwAA8FUAAOBgAADAXQAAwMEAAGBtAAAwjgAA8KAAAGCGAAAgZwAAMI4AADCOAACQ4gAA4MQAAA==

atoms_aniso_u22:
KIIAAJh2AABQqgAAoL4AAFCqAAAwVwAA8FUAAFBfAABwYgAAwMEAAGBtAADgkgAAEIsAAPBuAABw3wAAsOUAAJDJAAAg/QAAAH0AAA==

atoms_aniso_u33:
oIwAAEB5AACgcwAAEKQAAKBzAADQawAA4JIAAABkAACAcAAAAJYAABDWAACAcAAA8G4AACD9AAAAyAAAoKUAAGBOAQBAgwAAEKQAAA==

atoms_aniso_u12:
KEYAAPBBAABgSgAAUF8AAGBKAACYKwAA0CoAAFg5AABQMgAA4GAAAMArAAAwQwAAYFQAAABLAACQMwAAAEsAACBnAAAwXAAAUEYAAA==

atoms_aniso_u13:
MAwAAEgNAABA/P//AAAAAED8//8AAAAAAAAAAJABAAB4AAAAAAAAAGAJAAAgAwAAgAwAAJABAACg3f//kM///yC4//9ABgAAIBwAAA==

atoms_aniso_u23:
MAIAAEj5///YLAAAAAAAANgsAAAAAAAAAAAAAGgBAABIAwAAAAAAALAdAABw/v//kBoAAMD5//9QFAAAgPP//3Cz//+g9v//kAEAAA==

qdat:
AAAAAAAAAAAAAgAAIgAAIAgAQEoAAAEUEggQDAIgEFMCkACRQABYoiKBQAJKBEx0AsyAQgQsaTCgDqgIgVzQOyCIJggG1NcDtBEAyl3g2omLCAIDVYwdQuDqEi5ruEihAQNR+tR9FB1FBA1zsSWIEAAAbdh6UEAAAAX58U==


formula: Cu (Co1.36 Ni.64) Se4
compound: Eagle Claims, Beaverlodge Lake area, Saskatchewan, Canada
pub_title: Tyrrellite, Cu(Co0.68Ni0.32)2Se4, isostructural with spinel
formula_title: <missing>
a: 9.98850
b: 9.98850
c: 9.98850
alpha: 90
beta: 90
gamma: 90
cell_volume: 996.554
crystal_density: 6.626
atoms_sites: ["Cu", "Co", "Ni", "Se"]
atoms_x: IKEHAICEHgCAhB4AgPwPAA==
atoms_y: IKEHAAAAAAAAAAAAwEX//w==
atoms_z: IKEHAAAAAAAAAAAAwEX//w==
atoms_occupancy: AAk9AACBKQAAiBMAAAk9AA==
atoms_u_iso: YJ8AAIBhAACAYQAAKG4AAA==
atoms_aniso_label: ["Cu", "Co", "Ni", "Se"]
atoms_aniso_u11: YJ8AAIBhAACAYQAAKG4AAA==
atoms_aniso_u22: YJ8AAIBhAACAYQAAKG4AAA==
atoms_aniso_u33: YJ8AAIBhAACAYQAAKG4AAA==
atoms_aniso_u12: AAAAACj7//8o+///OAQAAA==
atoms_aniso_u13: AAAAACj7//8o+///OAQAAA==
atoms_aniso_u23: AAAAACj7//8o+///yPv//w==
qdat:
AAAAAAAAAAAAAAAAAAQAAAAAAAAAACAAAABAAAAAAAgAACAAAAAIAAEAAAAIAAgAAAIACAAACABAAAEAEAABABAAAgBAACAEAAIAgACAIABAEAAAEABAIACAgAICABAgAQEAABAAgQAAQAAIAIAAIAAAIAgAAAAAAAAIAA==


formula: Ba B2 F8
compound: <missing>
pub_title: Strontium tetrafluoridoborate and barium tetrafluoridoborate
formula_title: Ba(BF4)2
a: 12.513
b: 5.0135
c: 4.7628
alpha: 90
beta: 111.854
gamma: 90
cell_volume: 277.317
crystal_density: 3.724
atoms_sites: ["Ba1", "B", "F1", "F2", "F3"]
atoms_x: AAAAADBYCQAgKgYAAIEQACALBwA=
atoms_y: AAAAAICEHgCAhB4AgIQeAOCWEAA=
atoms_z: AAk9AMA8KwAQmTgAMOwzADB9IAA=
atoms_occupancy: 0
atoms_u_iso: 8OsAAGC4AACA7QAAwPMAAOBBAQA=
atoms_aniso_label: ["Ba1", "B", "F1", "F2", "F3"]
atoms_aniso_u11: 0OgAAAD6AAAA+gAAoKUAAHBcAQA=
atoms_aniso_u22: kOIAAKCMAACgCQEAoAkBAIAGAQA=
atoms_aniso_u33: 8NIAAAB9AADA2gAAQBkBAFAnAQA=
atoms_aniso_u12: AAAAAAAAAAAAAAAAAAAAADARAAA=
atoms_aniso_u13: oCgAAOAuAADAdgAAYDsAACA1AAA=
atoms_aniso_u23: AAAAAAAAAAAAAAAAAAAAALBu//8=
qdat:
AAAAAAAAAAAAAAAAAAgAAABCAAAAAAAAAASQgAAAABAAAEAogCgAAAYUCAAAABAYAQmAaIIQQAAEASiEAgENQEBEChVgACqggLAsjIFEREBBaDYpUSAJKAGCChhHCrKGmEoIemjAkUBUJA6ciwUIWibEioFmAUnSqQxBNb==


formula: Sr B2 F8
compound: <missing>
pub_title: Strontium tetrafluoridoborate and barium tetrafluoridoborate
formula_title: Sr(BF4)2
a: 9.121
b: 8.714
c: 13.180
alpha: 90
beta: 90
gamma: 90
cell_volume: 1047.552
crystal_density: 3.313
atoms_sites: ["Sr1", "B1", "B2", "F11", "F12", "F13", "F14", "F21", "F22", "F23", "F24"]
atoms_x: wAECAKBsLwBwlTYAkGw1APCeKgBAVSkAYC80AAByOAAAzS0A4L83ADBrPAA=
atoms_y: oLIvAKBVHgCQzzEAwDojAJAHGACAkiQA8LkZALDkLgDQZC8AkHo7AGBALQA=
atoms_z: AOAkAMAnIgAA5hQAUN8lAKDBJQBAeB8AAH4dACD3GgBAXBMAkGoUACDPEAA=
atoms_occupancy: 0
atoms_u_iso: 8IcAAJB4AQCQeAEAAMIBAHDyAQAQGwIAIPcBAHDZAQBA+gEAwDgCAHDZAQA=
atoms_aniso_label: ["Sr1", "B1", "B2", "F11", "F12", "F13", "F14", "F21", "F22", "F23", "F24"]
atoms_aniso_u11: IIAAACBIAQAAdwEAIMUBACDFAQDgIgIAIMUBAAD0AQAgYQEAYN4CACDFAQA=
atoms_aniso_u22: YIYAAECWAQCAtQEAIMUBAEATAgDgIgIAYOQBAGBhAgBg3gIAIMUBACBCAgA=
atoms_aniso_u33: wI8AAKCGAQCAOAEAoLgBAKADAgBAEwIAIEICACBIAQDgpQEAoAMCAKCGAQA=
atoms_aniso_u12: EPr//2Dw//+gDwAAwK7//5Br///QhAAAUBQAANDu///gsf//gMH//4A+AAA=
atoms_aniso_u13: mAMAAIDB//8g0f//0Lz//yDq//+gxP//MCoAAJABAACgDwAAYPD//9A5AAA=
atoms_aniso_u23: 6AMAAEAfAABAov//gAwAAKBaAABAHwAA0Ir//5AaAADAx///UMn//yDq//8=
qdat:
AAAAAAAAAAAAAAABAAECAAAggJARhgIhARQTBIiRAkCmCilH6omBu75LAz52lbq/9KW+7j/3d/rP/udPv/7/7v/+7/W7//93ff3+/3+//7/77//+///3vv/b+////v/s////V/fv//9/9/t3/lnf0z7e7YFlIyzXI6mohl==


formula: Mg Ca P O4.2 (F.8 H.2)
compound: Kjorrestad, near Bamle, Norway
pub_title: Isokite, CaMg(PO4)F0.8(OH)0.2, isomorphous with titanite
formula_title: <missing>
a: 6.5109
b: 8.7301
c: 6.9046
alpha: 90
beta: 112.246
gamma: 90
cell_volume: 363.251
crystal_density: 3.254
atoms_sites: ["Mg", "Ca", "P", "O1", "O2", "F", "O-H"]
atoms_x: gIQeAICEHgAAAAAAsKgGAKBQCgCAhB4AgIQeAA==
atoms_y: AAAAACCKFAAo8AoAaBgRADhzBAAwEQUAMBEFAA==
atoms_z: gIQeAEBCDwBAQg8AUBYIAMD5GABAQg8AQEIPAA==
atoms_occupancy: AAk9AAAJPQAACT0AAAk9AAAJPQAA1DAAADUMAA==
atoms_u_iso: +JgAAFATAQCYdgAAMKcAAEC1AADgqwAA4KsAAA==
atoms_aniso_label: ["Mg", "Ca", "P", "O1", "O2", "F", "O-H"]
atoms_aniso_u11: EKQAADCnAAAgZwAAEKQAAHCUAACw5QAAsOUAAA==
atoms_aniso_u22: 8KAAALCBAAAQcgAAYJ8AAKClAAAgmQAAIJkAAA==
atoms_aniso_u33: EIsAAECvAQCAiQAAAMgAAADIAADgkgAA4JIAAA==
atoms_aniso_u12: cP7//wAAAAAAAAAAQAYAAHD+//8AAAAAAAAAAA==
atoms_aniso_u13: EEAAALAEAABQLQAAoFoAAPAjAADQUgAA0FIAAA==
atoms_aniso_u23: UBQAAAAAAAAAAAAA8CMAAGAiAAAAAAAAAAAAAA==
qdat:
AAAAAAAAAAAAAAAAAAAAAQAAgAAAAgEABABAAAAAiAQAQCAAgBCAAECCQAQQAkEIBEQAKFQAoFRAAAAVhQQEUqAaMAFUAQwwhKLCk0gYcOBhQpQdwQjEwQVBtV12JCbGQrBQWehKTImkdiuYDpA7UGslOCsq9CpxIif54T==


formula: (Sc.94 V.03 Fe.02 Al.01) P O6 H4
compound: Hot Springs County, Arkansas, USA
pub_title: Kolbeckite, ScPO4*2H2O, isomorphous with metavariscite
formula_title: <missing>
a: 5.4258
b: 10.2027
c: 8.9074
alpha: 90
beta: 90.502
gamma: 90
cell_volume: 493.075
crystal_density: 2.373
atoms_sites: ["Sc", "V", "Fe", "Al", "P", "O1", "O2", "O3", "O4", "O5", "O6", "H1", "H2", "H3", "H4"]
atoms_x: YCIZAGAiGQBgIhkAYCIZAMC4+v+IHQoAIIf5/wh97v8QEPn/wFcGAKByGgAQUf7/gJ4JAGDsEgCQVRUA
atoms_y: QGAUAEBgFABAYBQAQGAUAABgCQCwbAsAyJkMAHAjDQAwQwAAqCIcALAvFgBoJhwAiLEgACgeFADodxgA
atoms_z: yC8SAMgvEgDILxIAyC8SANDyCgAoKA8A4DwBAFjOEAD4FQsAeAcSAOhfAwB4jxEAsMsQAIAc//9QQgQA
atoms_occupancy: gF85AMDUAQCAOAEAQJwAAAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0A
atoms_u_iso: +MAAAPjAAAD4wAAA+MAAAAi7AAD4RwEAaIwBAOAjAQDwCQEAQPQCAKhuAgDQQgEAGEkDABCdAgAoAAAA
atoms_aniso_label: ["Sc", "V", "Fe", "Al", "P", "O1", "O2", "O3", "O4", "O5", "O6"]
atoms_aniso_u11: CKIAAAiiAAAIogAACKIAAOChAACYvAAAKIACAJAAAQCAzwAAKL4AAMDnAgA=
atoms_aniso_u22: qKcAAKinAACopwAAqKcAAMilAADI6wAAuDcBAIAaAQDYswAAIO4AAAAgAwA=
atoms_aniso_u33: EPkAABD5AAAQ+QAAEPkAAHDpAABILgIA0O0AAPhRAQB4mgEAGDEHAHBDAQA=
atoms_aniso_u12: AAAAAAAAAAAAAAAAAAAAAJgIAADQ+P//UDcAAFhIAACAAgAAWBsAADBx//8=
atoms_aniso_u13: wAMAAMADAADAAwAAwAMAAJALAAAYwP//wBcAAOhJAABY+P//eC0AAHDR//8=
atoms_aniso_u23: GPf//xj3//8Y9///GPf//5D8///ApP//GBoAACgKAADoCAAAMGYAAADd//8=
qdat:
AAAAAAAAAAAAAAACAAAIEBAGBCAAQAGQQgAALASAhiCKAIFoQJD4iERgcHBGhWvEUOqAHLE6rOqqU/pFnuU8t5LfYsVPv3u7etru3+//3+e38+763N3Z+n9/+3f3/73p/1W12/x/v7tf/92+/9/4Xfd0P9+7/O/7/7xf/X==


formula: Fe2 P O5 H
compound: Synthetic
pub_title: Fe2(PO4)(OH), a synthetic analogue of wolfeite Sample: T = 1063 K, P = 2.5 GPa
formula_title: <missing>
a: 12.265
b: 13.197
c: 9.7385
alpha: 90
beta: 108.63
gamma: 90
cell_volume: 1493.690
crystal_density: 3.979
atoms_occupancy: 0
atoms_sites:
["Fe1", "Fe2", "Fe3", "Fe4", "Fe5", "Fe6", "Fe7", "Fe8", "P1", "P2", "P3", "P4", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "O11", "O12", "O13", "O14", "O15", "O16", "O17", "O18", "O19", "O20", "H1", "H2", "H3", "H4"]

atoms_x:
6FwLADAFDAConxIAWIATAMDfBQAYPQUAEA8YALCuGQAo0wQA0KMEALjTGQA40RkAIPECAHjFAwDITxoAiNkbAKCfAQCwkwIAyH8cAICGHAAQmgoA4IgKANjDEwCwaBQAaEoHAKA6BwAocBcAgAkXAPhrDwDIowwAMNAOALBvEgAAHRAAAEcJAEBIDgCgCBYA

atoms_y:
iDwdAEDJPADA7i0AiHYQAMhRBAB4BSMAWC4pAOjfCgD4GzIAOOsTAFDDGQCYpzgAKEsZABBoNwB4WTMA2JoUAGDjAgCw0yEAeO4qAGhoDACIvDMAGP8VAJBxFwBYKjcAwHIsAOBSDgBIZgEAmFIfAFDWAQCg3QkAyOMrABiSIwDAaf7/oFAKAKDvLgAg+SIA

atoms_z:
gNMLALj+DADo3REAaIUSAEigHABomhsAWN0BALhUAgCQNRcAOGAXAFjiBgAISwcAQKMcACA2HQAo+gAAyIEBAMDRDgCQKg4A8NwPAMjSDwC4NBMAsL4TABAdCgCI7gsAQGEdACh5HQBoUAEA0KwAALCUGgCg4AsAECgEAODVEgAgphsAYB8NAGBbAwBgBxEA

atoms_u_iso:
WKcAAIizAAB4rwAAqKwAAOCXAAB4oAAAKJsAAMibAACgaQAAMGsAAFhrAADwbgAA8LkAAKClAABQqgAAoKUAAMDBAAAAyAAAEKQAANC2AAAQpAAAILIAAKClAACAogAAQJwAALCaAABwrQAAEKQAAHDGAACg1wAAsLMAAIDUAACg8QQAYOQBAMBLAwDAVwEA

atoms_aniso_label:
["Fe1", "Fe2", "Fe3", "Fe4", "Fe5", "Fe6", "Fe7", "Fe8", "P1", "P2", "P3", "P4", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "O11", "O12", "O13", "O14", "O15", "O16", "O17", "O18", "O19", "O20"]

atoms_aniso_u11:
iKkAABjTAAC4tQAAAK8AACCeAACApwAAwJ4AAGCQAAAgZwAAoHMAAEBqAADwbgAAQOcAAPDSAAAwwAAAAMgAACCZAACAiQAAkJcAACDLAAAwpwAAkLAAANCdAADAqAAAwMEAAOCrAACwzAAAkLAAAKC+AADg9gAAUKoAALDMAAA=

atoms_aniso_u22:
oKAAAMCtAAA4uAAA0KIAACCPAAA4hgAAwJQAAGCGAABwYgAAUF8AAFBfAACQZQAAcHsAAOB5AAAAlgAAMHUAAEAAAQDg9gAAUMMAALDMAABghgAAQJwAAGCfAACgpQAAsGgAAAB9AADAdgAAsIEAAJCXAADQtgAAwI8AAGDRAAA=

atoms_aniso_u33:
sLMAANCdAADwoAAA0LYAANCdAADwuQAAEKQAANC2AAAwdQAAwHYAAAB9AACQfgAAwPMAAODEAABAtQAAENYAACCZAAAAyAAAYIYAADB1AABw3wAAgO0AADDZAADAwQAA0J0AAECcAAAwwAAAsLMAAPDrAAAQ7wAAgNQAAFD1AAA=

atoms_aniso_u12:
UBkAAEApAABIKwAAuBUAACgAAADw+///YAQAADACAADg/P//4Pz//7AEAADA+f//0O7//0Dt///w8f//8PH//8ASAABwMAAAkBoAAHAwAACwHQAA8CMAAEAGAACQAQAAkOj//+D8//9ABgAAAAAAAGDw//+w0v//QAYAAPDY//8=

atoms_aniso_u13:
yEEAAHhBAABAOAAAaD0AAIg2AAA4QAAAADwAAHArAACAJQAAcDAAADAqAABwMAAA8IcAAIBwAAAgTgAAYG0AAFAUAABAHwAAsB0AAFAUAABAagAAMHUAAPBuAAAwdQAAoCgAAPAjAADQOQAAcDAAAOAuAADQawAAECcAALBoAAA=

atoms_aniso_u23:
aB8AAAj9//+g9v//mCYAABjy//848P//4PL//xj3//+wBAAAIAMAALAEAABw/v//YNf//yDR///A4P//4OP///AKAACwBAAAYAkAAOD8//+QGgAAoCgAAKAoAABgCQAAcBcAAKAoAADAEgAAABkAABD1//8Q3P//cBcAAADn//8=

qdat:
AAAAAAAAAgAAgBABAA4GAACggEIiRhAKB2wh1ECpP/A2hq0nsuNu6LnYefuzvPP+f//v/4nO9/279999//f////37t/9/f+/+//f7v/9f79/++/d+f/+7//7//3++//7rf/v/nb//j/Pv7P3/x//vmZ3znWRd2gdi4ZYgN==


formula: Cu Pb10 Cr6 Si2 O34 H2
compound: Chapacase mine, Sierra Cerillos district, Tocopilla, Chile
pub_title: Iranite, CuPb10(CrO4)6(SiO4)2(OH)2, isomorphous with hemihedrite
formula_title: <missing>
a: 9.5416
b: 11.3992
c: 10.7465
alpha: 120.472
beta: 92.470
gamma: 55.531
cell_volume: 780.079
crystal_density: 6.492
atoms_occupancy: 0
atoms_sites:
["Cu", "Pb1", "Pb2", "Pb3", "Pb4", "Pb5", "Cr1", "Cr2", "Cr3", "Si", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "O11", "O12", "O13", "O14", "O15", "O16", "O-H"]

atoms_x:
AAAAAODTDwA4CBAAOLw4AGiiLADAaBMAuGc6AIBTIgAIrxsA4HMBAGDvLQCAMwYAgMo8AHBFOwBgFx8AIBYaAPADLwDwqCAAEColAMBLHADgOA8AcHwdAHDiDACQWQIAoGk8ADDTMwDgewgA

atoms_y:
gIQeACiaBgB4XwUAkM8OAIBXGQDIihsAgJ4EAMibCgDouBMAIKYbACDIDQDw0wQA8EQHABDLBgBwSwgAMEYMALCaAADAwBUA8GwRABAtGADwbx0AAGYIALBgEgDw9xcAkMIWAOBIHQAg1Q8A

atoms_z:
AAAAAKDrDwBwJigA8MIBAAixLQAwfSAAGKAVAOhoCQDA+DIAQGUoABBBHQAA2xoAUAAtAODzDQDQbxAAYFsDAIAAAgCAWxAA8LQ3ANA+LQCQYTsAoM8rAHBXHwAwVS8AkLoPAKB2JQCQIjkA

atoms_u_iso:
EHIAAJAFAQBAvwAA0M8AANgwAQA49AAAkMkAANCEAADgkgAAABkAAJCqAQCQeAEAsBcBAECvAQBQ9QAAcHUBAGADAQCQLQEAcHUBAHCOAQBw+AAA0AEBAJDJAACAogAAQOcAACDkAACQlwAA

atoms_aniso_label:
["Cu", "Pb1", "Pb2", "Pb3", "Pb4", "Pb5", "Cr1", "Cr2", "Cr3", "Si", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "O11", "O12", "O13", "O14", "O15", "O16", "O-H"]

atoms_aniso_u11:
4JIAAGj2AADgnAAA2NEAANhYAQDQJAEAENYAAGBtAADQhAAAECcAACBIAQAgxQEA4CgBAMDUAQAA+gAAIEgBAOCrAADgKAEAQBkBACBCAgDA2gAAgLsAAECcAAAgywAAAHcBAAD6AACAuwAA

atoms_aniso_u22:
sE8AAEjkAADIoAAAEL0AAIBWAQBwQwEA0M8AAOBgAAAAlgAAoCgAACBIAQBAlgEAoAkBAMBRAgAA+gAAYOQBACDLAACgCQEAgLUBAKADAgBAnAAAgLsAAOCrAAAAfQAAgLsAAAD6AAAgTgAA

atoms_aniso_u33:
UF8AAGjTAABQrwAAaMQAABA/AQAI9wAAQLUAAFB4AAAwpwAAYCIAAGBnAQDgpQEAYOoAACBCAgAA+gAA4CgBAMDaAABAlgEA4KUBAOClAQDA2gAAgDgBAECcAADAXQAA4KsAAKAJAQBgbQAA

atoms_aniso_u12:
YL7//4hz//+QrP//uIT//0gi//9gGf//MGL//4Da///Qo///YPD//0Al//9AqP7/QCX//2B5/v/AY///AAb//2Dw//+ARP//4DT//yBa/v/gsf//AIP//0Ci//+Awf//gET//2Bz//+Awf//

atoms_aniso_u13:
8Nj//0DA//+43v//GNT//zhV//8QX///YL7///Dx//9Qyf//0O7//6APAABAqP7/gMH//2D2/v8g0f//gET//0AfAAAAg///AAb//+A0//8AAAAAQKL//6APAADw8f//4LH//8Bj//9Q+///

atoms_aniso_u23:
4C4AAEBWAABwSQAAYGMAAJDxAADYxwAAYFQAAEA4AABQXwAAIBwAAOAuAAAA+gAAIE4AAGDkAQBAnAAAYOoAAGBtAADA2gAA4CgBAMBXAQCAPgAAwF0AAOAuAAAgTgAAYG0AACDLAABgIgAA

qdat:
AAAAAAAAAAAAgBQQAAAQAEIoiACEIGQCggwPwEQhhyUYKOiZ4clGWNJ5L+Ta/UTV+Bmv/2/34166v9l39+3N/+e5/+/953737/9/33/fv7//////3/////+/7+/z//9//+P33ff/vft/3f3/t/dt/S4a//OnVVq5JZTb2p==


formula: Na2.74 Mn5.26 Ge6 O20
compound: Synthetic
formula_title: Na2(Mn5.26Na0.74)Ge6O20
a: 10.5578
b: 11.1532
c: 9.1833
alpha: 106.707
beta: 95.809
gamma: 124.367
cell_volume: 806.042
crystal_density: 4.564
atoms_u_iso: 0
pub_title:
 Synthetic aenigmatite analog Na2(Mn5.26Na0.74)Ge6O20: structure and
 crystal chemical considerations
 T = 295 K

atoms_sites:
["Na2", "Na3", "Mn1", "Mn2", "Mn3", "Mn4", "Mn5", "Mn6", "Na1", "Mn7", "Ge1", "Ge2", "Ge3", "Ge4", "Ge5", "Ge6", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "O11", "O12", "O13", "O14", "O15", "O16", "O17", "O18", "O19", "O20"]

atoms_x:
cDju/1DxCQCAhB4AgIQeAKBbMQDAEQYAQMgQAKAYJACgGCQAUOIdAKB27v+guAEA+MwNAGDfHwA40wgACHIIAFA39v8g9uT/gMv1/8C76P8A4wgA8OAGAHCz//9wgBQAsDEFAKBAFQCgtScAMGkbABDgDwAABBAAoMsCAJDyDgCQRf3/8A4QAGBoHgCQLyIA

atoms_y:
wHMmAGBXJQAACT0AgIQeADioMwCgwTkAQEcyAPArOQDwKzkA2IwsALj8JwAoxy4ASDAoAAjELgAQ1DkAqLUaAEBqMgBwrh0A0NIlABCPKQAAhTkA8KooAFCEMAAQcjIAEKUdAABIJgCAkTkAEFIvAODVRAAAATYA0Ds6AAADJQDwCBEA8KwXAIBlOABwWisA

atoms_z:
YGAXAPDLFgCAhB4AAAk9AFjPCgAIzAMAWLIJAGCmAwBgpgMAQEsQAIhELgDIhygA0IIvAHi/JwAo6hoA2B86AHAGOQDAPS8AEEooALBrJQDA2jIAgIYmAGAEHgCwODoAYMQwAJAYKgBgCTIAwEUdAMBHJQBgqxcAoHERAEAqRQCgXDoAgFg2APBsEQDA2wQA

atoms_occupancy:
AAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AIDeDwCAKi0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0A

atoms_aniso_label:
["Na2", "Na3", "Mn1", "Mn2", "Mn3", "Mn4", "Mn5", "Mn6", "Na1", "Mn7", "Ge1", "Ge2", "Ge3", "Ge4", "Ge5", "Ge6", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "O11", "O12", "O13", "O14", "O15", "O16", "O17", "O18", "O19", "O20"]

atoms_aniso_u11:
EL0AALDlAADgkgAA8KAAALCaAACAuwAAcK0AAGBtAABgbQAAgKIAAICJAADwuQAAEL0AAACWAACQsAAAMMAAAMDaAADgqwAAQJwAAKAJAQCgjAAAoAkBAMBdAADA2gAAgLsAAOCrAACgCQEAAPoAAECcAABAGQEAYGcBAMBXAQAAdwEAYOoAAGDqAABAlgEA

atoms_aniso_u22:
8OsAANBlAQAwpwAAcJQAABCkAAAwwAAAcMYAANC2AADQtgAA4JIAAPCgAADgxAAAkLAAAPCgAACAiQAAkH4AAIC7AAAA+gAAoIwAAEAZAQAgywAAoAkBAMBdAACAuwAAoIwAAIC7AABgbQAAgLsAAOCrAAAA+gAAYOoAAKAJAQDgqwAAIMsAAKAJAQAA+gAA

atoms_aniso_u33:
0BoBAPAEAQDwbgAAAJYAAACvAADAwQAAAK8AAMDBAADAwQAAkH4AAOCSAABQqgAAgNQAAMCPAABQeAAA0J0AAECcAADgKAEAoAkBACDLAABAnAAAAPoAACDLAAAA+gAAoAkBAKAJAQBg6gAAwNoAAOAoAQCAuwAAQJwAAAD6AABgZwEAwF0AAKCMAABg6gAA

atoms_aniso_u12:
IGcAANCdAABwMAAAcDAAABBAAACgWgAA4GAAABByAAAQcgAAMEMAAIA+AABQRgAAoEEAAIA+AAAAMgAAMEMAAKAPAACgjAAAgD4AAIA+AADgLgAA4KsAAIA+AADgLgAAIE4AAMBdAABAHwAAQJwAAMBdAAAgTgAAwF0AAMBdAABgbQAA4C4AAIA+AADgLgAA

atoms_aniso_u13:
4GAAAEBRAADgLgAA0DkAAKBBAABQRgAAkEwAAJAzAACQMwAAwEQAAJAzAABgOwAAoEEAABAnAADgRwAAMFwAAKAPAABgbQAAYG0AACBOAAAAAAAAwF0AACBOAACgDwAAIE4AAGBtAABg8P//YG0AACBOAABgbQAAIE4AACBOAACAuwAA4C4AAKAPAAAAAAAA

atoms_aniso_u23:
8IcAAHCtAAAAZAAAkGUAAPBuAADgeQAAIIAAABBAAAAQQAAAMHUAABBZAABwewAAEHIAAKBaAAAgZwAAgHAAAKCMAAAAfQAAAH0AAAD6AADAXQAAwNoAAKAPAAAgTgAAwF0AACBOAAAgTgAA4KsAACBOAADgqwAAwNoAAIC7AACAuwAAoIwAAMBdAAAgywAA

qdat:
AAAAAAAAAAAAGAAAAAAACQBAAsAAAAIBkAGAADQAEMIBqECgAAei4cAAmoAiCZSWhYAAMoJOZIMflmABl/TypTgXZZVtk++nxuALul2cXG/qmfTm/7f9PFWetfrb9t+/7Fb9+73fz5r1dv9/e/Wb1+u36/9m/Wm//7fv+3==


formula: Na3 Fe2 As3 O12
compound: Synthetic
formula_title: Na3Fe2(AsO4)3
a: 12.250
b: 12.250
c: 12.250
alpha: 90
beta: 90
gamma: 90
cell_volume: 1838.266
crystal_density: 4.317
atoms_sites: ["Na", "Fe", "As", "O"]
atoms_x: gIQeAICEHgCAhB4AkHEhAA==
atoms_y: QEIPAICEHgBAQg8AKDYVAA==
atoms_z: 4F74/wAAAAAgoQcAOGECAA==
atoms_occupancy: 0
atoms_u_iso: sGIBAEDnAABg0QAAMPIAAA==
atoms_aniso_label: ["Na", "Fe", "As", "O"]
atoms_aniso_u11: 8JoBAEDnAADw0gAAcBEBAA==
atoms_aniso_u22: 8JoBAEDnAADw0gAAgNQAAA==
atoms_aniso_u33: MPIAAEDnAADQzwAAMPIAAA==
atoms_aniso_u12: IOr//+D8//8AAAAAsOv//w==
atoms_aniso_u13: AAAAAOD8//8AAAAAwBIAAA==
atoms_aniso_u23: AAAAACADAAAAAAAAkBoAAA==
pub_title:
 L'arseniate Na3Fe2(AsO4)3: etude structurale de la forme basse temperature
 et simulation des propriete de conduction des cations alcalins
 Note: garnet structure

qdat:
AAAAAAAAAAAAAAAAAAAAAgAAQAAAAAAAgAQAAAQAQBACAABAIAAACAgIAAgQECBAgAAIIEEEEEAEEAIIQQBBCEIQgCAIhCIAiAAiIRCICIgEAEREBACIABEgJACAACAAACAAAAAAAAIgAAAAAAAAAAAAAAAAAAAAAAAAAA==


formula: Tl2 C O3
compound: Synthetic
pub_title: Tl2CO3 at 3.56 GPa P = 3.56 GPa, T = 300 K
formula_title: Tl2CO3
a: 12.006
b: 5.2173
c: 7.2920
alpha: 90
beta: 123.01
gamma: 90
cell_volume: 383.030
crystal_density: 8.129
atoms_sites: ["Tl1", "Tl2", "C1", "O1", "O2"]
atoms_x: oHQEADB3CACACAkAoM0KAMCkCQA=
atoms_y: AAAAAICEHgCAhB4AgIQeACDiEQA=
atoms_z: YOISAKDDLQCAeQsA4CEXAGBJBgA=
atoms_occupancy: 0
atoms_u_iso: 0
atoms_aniso_label: ["Tl1", "Tl2"]
atoms_aniso_u11: 4JkDAICdBQA=
atoms_aniso_u22: 0C0CAGCsAgA=
atoms_aniso_u33: YGECAEANAwA=
atoms_aniso_u12: AAAAAAAAAAA=
atoms_aniso_u13: APQBAOAcAwA=
atoms_aniso_u23: AAAAAAAAAAA=
qdat:
AAAAAAAAAAAAAAAAAQAABACAAAAAAAACAIQAAQAAQCACAUAEBAAIRgACABAAAwIQAwWBEAAABQwFEIhEIDQ8ACg4AAEyIjnpwCkARDDIklIBqyKMAxOXAKEJWTwK4xsoIA+sZEIKzxtULAODME/BkJCBipzjSF9TMskKwD==


formula: Sr5 As3 O12 F
compound: Synthetic
pub_title: Sr, Ba and Cd arsenates with the apatite-type structure
formula_title: Sr5(AsO4)3F
a: 9.990
b: 9.990
c: 7.395
alpha: 90
beta: 90
gamma: 120
cell_volume: 639.145
crystal_density: 4.541
atoms_sites: ["Sr1", "Sr2", "As", "O1", "O2", "O3", "F"]
atoms_x: VVgUACiDDgCYbRgAQMATAEBBJADg+xQAAAAAAA==
atoms_y: q7AoAPBaPABAlRYAUKsdAFCxHABQgg8AAAAAAA==
atoms_z: oBQAAEBCDwBAQg8AQEIPAEBCDwAAMwQAQEIPAA==
atoms_occupancy: 0
atoms_u_iso: oKUAAHilAADoewAAoNcAAHD4AACgOwEAsFwCAA==
atoms_aniso_label: ["Sr1", "Sr2", "As", "O1", "O2", "O3", "F"]
atoms_aniso_u11: 4MQAABC9AABghgAAkC0BAKCMAABQOgIAsP4AAA==
atoms_aniso_u22: 4MQAAHCUAACQfgAAUMMAALCzAABAAAEAsP4AAA==
atoms_aniso_u33: sGgAAACWAABQeAAA4PYAAGCZAQBwxgAA4BAFAA==
atoms_aniso_u12: IGIAAKhNAABYSAAAwMEAADBDAACgCQEAIIAAAA==
atoms_aniso_u13: AAAAAAAAAAAAAAAAAAAAAAAAAACARP//AAAAAA==
atoms_aniso_u23: AAAAAAAAAAAAAAAAAAAAAAAAAABgjP//AAAAAA==
qdat:
AAAAAAAAAAAAQAAAAACAAgAAQIAAoABAgAAwIIAgAAiCYBgIJAGAhQCFSJADNCZAkiBKBhkFCTljBKhOCAJRSlCMsIhKdQnGR3CRxdwu5nMXOxYtca0Xavx5xnF2fp809V+/2L9cc3+uZb37ZV6fX+2Vy/vkV5rb3Gro2n==


formula: Sr2.047 Ba2.951 As3 O12 Cl
compound: Synthetic
pub_title: Sr, Ba and Cd arsenates with the apatite-type structure
formula_title: <missing>
a: 10.390
b: 10.390
c: 7.575
alpha: 90
beta: 90
gamma: 120
cell_volume: 708.181
crystal_density: 4.862
atoms_sites: ["Sr1", "Ba1", "Ba2", "Sr2", "As", "O1", "O2", "O3", "Cl"]
atoms_x: VVgUAFVYFAAA7A4AAOwOABAsGQCwZxUA8JAkAGDQFQAAAAAA
atoms_y: q7AoAKuwKADYLDwA2Cw8ACggFwDwmx4A0HIcAMB6EAAAAAAA
atoms_z: CCAAAAggAABAQg8AQEIPAEBCDwBAQg8AQEIPAHBjBAAAAAAA
atoms_occupancy: wKgyAKBQCgBgKTUAoN8HAAAJPQAACT0AAAk9AAAJPQAACT0A
atoms_u_iso: kBQBAJAUAQDgDwEA4A8BAHDfAAAwoQEAsPgBAFC3AgBArwEA
atoms_aniso_label: ["Sr1", "Ba1", "Ba2", "Sr2", "As", "O1", "O2", "O3", "Cl"]
atoms_aniso_u11: QDIBAEAyAQAgFgEAIBYBADDZAADAUQIAoAkBAOCTBACQ3AEA
atoms_aniso_u22: QDIBAEAyAQDwHQEA8B0BACDLAACAtQEAgDgBAOAiAgCQ3AEA
atoms_aniso_u33: oNcAAKDXAACQ+wAAkPsAAOD2AABAlgEAAOgDAKADAgAwVgEA
atoms_aniso_u12: SJkAAEiZAACgjAAAoIwAACBnAACghgEAgLsAAEATAgAQ7wAA
atoms_aniso_u13: AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGD8/f8AAAAA
atoms_aniso_u23: AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAECo/v8AAAAA
qdat:
AAAAAAAAAAACAAAAAAgAQAAIEAAiAAhAABQgQEAAIIigUAUEFAKCEIQYEBRhkCoYFMUEEJVU7IwypuAArVirg6xJMhrJ82awMVX8tdr9NebeKye1Xxfusb8qx/b863+pZWv5fn95h9PP1fO68bjd+yxc7Ln87XjU8zznoc==


formula: Cd5 As3 Cl.58 O12.42 H.42
compound: Synthetic
pub_title: Sr, Ba and Cd arsenates with the apatite-type structure
formula_title: Cd5(AsO4)3Cl.58(OH).42
a: 9.971
b: 9.971
c: 6.514
alpha: 90
beta: 90
gamma: 120
cell_volume: 560.862
crystal_density: 5.960
atoms_sites: ["Cd1", "Cd2", "As", "Cl", "O4", "H", "O1", "O2", "O3"]
atoms_x: VVgUANgrEABoohgAAAAAAAAAAAAAAAAA8G0VAEClJABA0xQA
atoms_y: q7AoACCiAQCYIxcAAAAAAAAAAAAAAAAA0EcfAHA3HACwvQ8A
atoms_z: wCEAAEBCDwBAQg8AQEIPAEBCDwCg5QYAQEIPAEBCDwDw3wIA
atoms_occupancy: AAk9AAAJPQAACT0AgGYjAICiGQBA0QwAAAk9AAAJPQAACT0A
atoms_u_iso: cK0AAAgQAQAIdQAA8IEBAPCBAQDA1AEAUMMAAODEAADw6wAA
atoms_aniso_label: ["Cd1", "Cd2", "As", "Cl", "O4", "O1", "O2", "O3"]
atoms_aniso_u11: 8NIAAFC9AQCwgQAAoKUAAKClAABgZwEAAH0AABCFAQA=
atoms_aniso_u22: 8NIAAFCqAADgeQAAoKUAAKClAACAuwAAQJwAAKClAAA=
atoms_aniso_u33: cGIAAPCHAADAdgAAIDwDACA8AwBAnAAAYOoAAHCtAAA=
atoms_aniso_u12: eGkAALBoAAAgTgAA0FIAANBSAAAgywAA4BUAACCZAAA=
atoms_aniso_u13: AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAKCS//8=
atoms_aniso_u23: AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGC+//8=
qdat:
AAAAAAAAAAAAQAAAAAAAQgAAIAEAAQAAwAIBIAIBIAgCAoEAECAQDAoUABQAKBCg40QGGIBHBFFGBOAMMYIohlMMYhjEAxCAVzKNiGZmJz8jsxsZMRsXZh6M3duzYsmzt8/Rdml/rXLjds0/i+2183n0unn1LTe/v5/KlV==


formula: Ti Si4 Na2 O13 H2
compound: Synthetic
pub_title: Penkvilksite-2O: Na2TiSi4O11*2H2O Note: the second H could not be located
formula_title: <missing>
a: 16.320
b: 8.7378
c: 7.3854
alpha: 90
beta: 90
gamma: 90
cell_volume: 1053.165
crystal_density: 2.625
atoms_sites: ["Ti", "Si1", "Si2", "Na", "O1", "O2", "O3", "O4", "O5", "O6", "O7W", "H"]
atoms_x: AAAAAGDhBACQkwkAoOsFAHCpCQDwKgMAkJcAAKD+BgDwfAYAQEIPABCtCwBwtw8A
atoms_y: gIQeAKjLCQAA6hoAQDYqAFDmDwDgVAIAoA0RAJAhAwBQ/SAAgIQeAMDFKQCw4yoA
atoms_z: AAAAAECLBwBQ5g8AoFcmAPAmDABgoxAAsLoDAGB//f9QAwcA4H0QAHAb9/+QC/b/
atoms_occupancy: 0
atoms_u_iso: AH0AAOB5AADgeQAAYMsBAACvAADQtgAAQLUAABC9AADgqwAAIMsAAKCAAgDARQQA
atoms_aniso_label: ["Ti", "Si1", "Si2", "Na", "O1", "O2", "O3", "O4", "O5", "O6", "O7W"]
atoms_aniso_u11: gLsAALDMAAAArwAAIL8CAAD6AAAA+gAAIMsAAOAoAQBAGQEA4KsAAGDkAQA=
atoms_aniso_u22: wHYAANBrAACgjAAA8KAAAICJAADgqwAA4KsAAOCrAAAwdQAAoAkBAABrAwA=
atoms_aniso_u33: UEYAALA2AAAAMgAAQPoBAKCMAABgbQAA4KsAAGBtAADgeQAA4KsAAIAyAgA=
atoms_aniso_u12: gAwAABD1//8AAAAAEKr//zBDAACAJQAAoEEAAJAaAAAg0f//YPD//6AV//8=
atoms_aniso_u13: wPn//5ABAAAAAAAAcNL+/8DH//8wEQAAkM///wBkAADQ7v//AAAAAKCS//8=
atoms_aniso_u23: MPj//xD1//+QAQAAUEYAAKAPAADwIwAAIBwAAHDl//8AGQAAAAAAAOClAQA=
qdat:
AAAAAAAAAAAABCAAAAACAAGAgACRMgCWAJYQMzUYjBHQGY8Fzq8aFUOSy0e5KvR4ccb2vvxX6vf7+PvT3tT3X79bvvPr9//x+/1d/379dr/8q+/vd/fu7vn7/6//f/rff3/8f33/u///6//e/7f93z7N//l6z+z/5zxNX3==


formula: Na Cr Ge2 O6
compound: <missing>
formula_title: NaCrGe2O6
a: 9.9151
b: 8.8441
c: 5.4595
alpha: 90
beta: 107.548
gamma: 90
cell_volume: 456.466
crystal_density: 4.601
atoms_sites: ["Na", "Cr", "Ge", "O1", "O2", "O3"]
atoms_x: gIQeAICEHgAQuxEAcHAGAFD0FQBQJhYA
atoms_y: gA8MAJApGQA44AUAUPYEACC2EABwxgAA
atoms_z: wMYtAEBCDwCQ5A0AQNYHAFDUEgDQawAA
atoms_occupancy: 0
atoms_u_iso: QOcAAOBbAABoZQAAEHIAAHCtAADAqAAA
atoms_aniso_label: ["Na", "Cr", "Ge", "O1", "O2", "O3"]
atoms_aniso_u11: MAsBADBcAABQXwAAMFwAAEC1AABQkQAA
atoms_aniso_u22: 4KsAANBSAAAAZAAAsIEAAAB9AAAQ1gAA
atoms_aniso_u33: wNoAAABkAABAagAAgHAAAMDaAABwlAAA
atoms_aniso_u12: AAAAAAAAAABw9P//8PH///C///9Q+///
atoms_aniso_u13: wBIAALAdAADAHAAA4BUAAKBBAABwMAAA
atoms_aniso_u23: AAAAAAAAAAAA+///kAEAAHDl///wv///
pub_title:
 Chromium-based clinopyroxene-type germanates NaCrGe2O6 and LiCrGe2O6 at 298 K
 Note: pyroxene structure

qdat:
AAAAAAAAAAAAAAAAQAAAAAQCAAAAIAAgEAAIAQAAQEABIIKICAQEIAAAKQJAUAQAFHEBQQkiIHYACAnAEiAjBoDGSaCCBaSADOUGuEw5UzAbQiKTLeoSyRtY3Qi3PkFUhes3ZMArnX8lXHFdPiwrPyhOhvsY9eyRw26AgZ==


formula: Li Cr Ge2 O6
compound: <missing>
formula_title: LiCrGe2O6
a: 9.7989
b: 8.7190
c: 5.3410
alpha: 90
beta: 108.905
gamma: 90
cell_volume: 431.702
crystal_density: 4.618
atoms_sites: ["Li1", "Cr1", "Ge1A", "Ge1B", "O1A", "O2A", "O3A", "O1B", "O2B", "O3B"]
atoms_x: MLEPAEBWDwBA2wIAiNMhAFBK9/9g+AYAgC0HABA5FgBAgCYAkGglAA==
atoms_y: MKgdAEBHKAC4BRUAoF4zAFBLFAAwGSAAoLwRAJDJMgCAeT0AMA8qAA==
atoms_z: oAEsAHD7DAC4rxAA+AMOAECSCgDgRREAcBolAKBoBgDQkBcAgMgbAA==
atoms_occupancy: 0
atoms_u_iso: UA4BANhFAABwWAAAKFUAAMBdAADAwQAAMI4AAPBuAADwhwAAkH4AAA==
atoms_aniso_label: ["Li1", "Cr1", "Ge1A", "Ge1B", "O1A", "O2A", "O3A", "O1B", "O2B", "O3B"]
atoms_aniso_u11: oAkBAEBRAADAXQAAUF8AAIA+AAAw2QAAMKcAAEBqAABQqgAAkJcAAA==
atoms_aniso_u22: wNoAADBDAAAwXAAAgFcAAMB2AACgjAAAsLMAAHB7AABghgAA8IcAAA==
atoms_aniso_u33: gDgBAIA+AACwTwAAwEQAAIBXAABgAwEAAEsAADBcAABAagAAIGcAAA==
atoms_aniso_u12: oA8AAJj+//8w8///0PP//5Do//9gvv//kOj//zDf///wv///MCoAAA==
atoms_aniso_u13: gD4AAJAaAADgGgAAKBQAANAHAACQfgAAQB8AADARAACQMwAA0DkAAA==
atoms_aniso_u23: AAAAANACAAC4/P//ePv//3D+//8w3///ECcAAGAJAABw5f//0DkAAA==
pub_title:
 Chromium-based clinopyroxene-type germanates NaCrGe2O6 and LiCrGe2O6 at 298 K
 Note: pyroxene structure

qdat:
AAAAAAAAAAAIAAAAEAAAAACAgCEAAQACAhABgRAAAEGQBQKBgMEwYYDAFDHCEcCMYDypBiNXhKU9FAkS7xX7BqvzzNf0GeK9yba+/b4YeNe9uTd/F+0lz32T3X/+79fmu3/rrO/fzZ1959m2Juy9tnfuP+biv/+R92+/fb==


formula: Pr Mo6 O12
compound: <missing>
pub_title: A new reduced molybdenum oxide with a hollandite-type structure, PrMo6O12
formula_title: PrMo6O12
a: 9.9147
b: 9.9147
c: 8.6508
alpha: 90
beta: 90
gamma: 90
cell_volume: 850.385
crystal_density: 7.096
atoms_sites: ["Pr", "Mo1", "Mo2", "O1", "O2", "O3", "O4"]
atoms_x: AAAAAKjFFAAYTBQAgOEbAKCCCgDwQxwAUIAHAA==
atoms_y: AAAAABAnzv9YL87/YJb1//AI+P9gE/b/IMcJAA==
atoms_z: mFbz/1Ak6/8AAAAAQLbr/3Cu6/8AAAAAAAAAAA==
atoms_occupancy: 0
atoms_u_iso: IHsAAEBlAAAwTQAAIGcAAECDAADgYAAAkGUAAA==
atoms_aniso_label: ["Pr", "Mo1", "Mo2", "O1", "O2", "O3", "O4"]
atoms_aniso_u11: yIwAAHhVAADoTgAAMEMAANCEAADAXQAAIGcAAA==
atoms_aniso_u22: yIwAALBPAAAoUAAAAJYAAPCgAADAdgAAAH0AAA==
atoms_aniso_u33: 0FcAAJiKAACASAAAoFoAAOBgAABAUQAAIE4AAA==
atoms_aniso_u12: AAAAAKjp///IBQAAoPb//4Da//9g8P//AAAAAA==
atoms_aniso_u13: AAAAANDa//8AAAAA4Pz//9AHAAAAAAAAAAAAAA==
atoms_aniso_u23: AAAAABAiAAAAAAAAoPb//wDn//8AAAAAAAAAAA==
qdat:
AAAAAAAAAAAAAAAggAAAAQAAQAEAEBAAQIgAABEAgQIIBQAQaACgDRQADARiAGAIcoxHKAAlKBWiRBMDsAMokoiRoiVgFRkXFNyTYJohVK7aKEdsWvHd6Ky1cw5XCHEOddpCvI4piIIpDIVqFMSCAYCIjFMgGxABCAhAAG==


formula: Cd As2 O6
compound: <missing>
pub_title: Cadmium(II) metaarsenate(V), CdAs2O6
formula_title: CdAs2O6
a: 4.8269
b: 4.8269
c: 4.8660
alpha: 90
beta: 90
gamma: 120
cell_volume: 98.184
crystal_density: 6.059
atoms_sites: ["Cd", "As", "O"]
atoms_x: AAAAAFVYFACwGiYA
atoms_y: AAAAAKuwKAAAAAAA
atoms_z: AAAAAICEHgCQxxEA
atoms_occupancy: 0
atoms_u_iso: KGQAAHA6AADgYAAA
atoms_aniso_label: ["Cd", "As", "O"]
atoms_aniso_u11: YG0AACgyAACwaAAA
atoms_aniso_u22: YG0AACgyAACgQQAA
atoms_aniso_u33: kFEAAABLAABAagAA
atoms_aniso_u12: sDYAACgZAADQIAAA
atoms_aniso_u13: AAAAAAAAAADwIwAA
atoms_aniso_u23: AAAAAAAAAAAAAAAA
qdat:
AAAAAAAAAAAAAAAAAAAAAEAAAgAAAAAAAgAAAAAAAAAoAAAAEBQAAAEAAAAAAQAAEAgAAKAAAAAQABQgACAAAAjAAKIAFAAAFAASwAEAAAACSwEoAAJAhICQAAKABIJgAQQS0AQAQQIoFQAEAYgoAIKBqLACZMqAAAQEsW==


formula: Mg Se O5 H4
compound: <missing>
pub_title: Magnesium selenite dihydrate, MgSeO3*2H2O
formula_title: MgSeO3*2H2O
a: 6.4818
b: 8.7975
c: 7.6367
alpha: 90
beta: 98.7530
gamma: 90
cell_volume: 430.401
crystal_density: 2.890
atoms_sites: ["Mg", "Se", "O1", "O2", "O3", "O4", "O5", "H1", "H2", "H3", "H4"]
atoms_x: +GoVAHhFBgAwawoAEGv9/+gDFACgvhkA0EUXAOBuHwDgsBQAoGEcAIAfGgA=
atoms_y: 2AIWAFjBJwCwRTIAUJ4qACAgJADQuAgA4HMaAGC6CADAvAUAAEYeAIA3FgA=
atoms_z: CHkfAICYFADoERAAWDQeAOhLHAAAcyMAIFAwAACTJgAAFiYA4IUwAOBnNQA=
atoms_occupancy: 0
atoms_u_iso: KKUAACCUAACwzAAAcN8AAODEAABAGQEA8AQBAKB6AwAgvwIAoIYBAEAZAQA=
atoms_aniso_label: ["Mg", "Se", "O1", "O2", "O3", "O4", "O5"]
atoms_aniso_u11: oL4AAGCzAADwBAEA8NIAAMDBAAAwPQEAoDsBAA==
atoms_aniso_u22: QIMAAMCAAADAqAAAwAwBAHCUAABguAAAwPMAAA==
atoms_aniso_u33: kLAAAJCIAADwuQAAYNEAAFD1AABgTgEAAOEAAA==
atoms_aniso_u12: CAIAANj///9Q+///cOX//wAZAACgDwAAsOv//w==
atoms_aniso_u13: gCUAANgYAABQLQAAYFQAAFAUAAAwEQAAwCsAAA==
atoms_aniso_u23: 4BAAAJD3//+QMwAAoN3//8ArAABQRgAAECcAAA==
qdat:
AAAAAAAAAAAAAAAAIAIAQAABABAFBAQACQJAMAIIECEIIQgGsmMDDANUBCyhe+ARGK1hOCoUD4nxHakWLLzvX1mT6016zdq/Trj83TvnIu1z/2T3nMn1f/pn//f3733+31//tr9vy//33f+7++//3/7XK//7x+zf63TO3/==


formula: Fe S O11 H14
compound: Synthetic
formula_title: <missing>
a: 13.9969
b: 6.4803
c: 11.0211
alpha: 90
beta: 105.5959
gamma: 90
cell_volume: 962.853
crystal_density: 1.918
atoms_occupancy: 0
atoms_aniso_label: ["Fe1", "Fe2", "S1", "O1", "O2", "O3", "O4", "O1W", "O2W", "O3W", "O4W", "O5W", "O6W", "O7W"]
atoms_aniso_u11: 0LEAAHigAADgjQAAoNcAAIC7AACwzAAAYOoAAOClAQDgDwEAQOcAAFDcAACgIgEAQM4AAJAUAQA=
atoms_aniso_u22: uJwAABDCAABYnQAAQOcAACDkAACw/gAAkLAAABBsAQAQ1gAAgLsAABBTAQAAEwEAMD0BACDLAAA=
atoms_aniso_u33: 0KcAACCUAADAngAAgKIAADDZAACQ+wAA8AQBAFBAAQDADAEAcCoBAHCtAABg0QAA0BoBAGAcAQA=
atoms_aniso_u12: qAwAAFj4///o/v//UOL//4AlAACAwf//gCUAAIDUAACQAQAAsOv//0AGAADQvP//EPX//8D5//8=
atoms_aniso_u13: yEEAAMAhAABwJgAAkDMAABBZAAAAMgAAwCsAACDkAADgFQAAcP7//3AwAABgIgAAUC0AAEA4AAA=
atoms_aniso_u23: WAcAAID9//+Y+f//kOj//wAZAABws///QB8AAACvAADQ7v//sDYAALAEAAAAAAAAgHAAANDu//8=
pub_title:
 Refinement of ferrous sulfate heptahydrate (melanterite) with
 low-temperature CCD data
 Note: T = 120 K

atoms_sites:
["Fe1", "Fe2", "S1", "O1", "O2", "O3", "O4", "O1W", "H11", "H12", "O2W", "H22", "H24", "O3W", "H31", "H32", "O4W", "H41", "H47", "O5W", "H54", "H57", "O6W", "H61", "H63", "O7W", "H74", "H76"]

atoms_x:
AAAAAICEHgDYyQ0AGHIMADhHCACYvhIAAJEPAPA/BwCQ5AgAQHIHALAF+v9QDPn/oPr2/yDFAQBg0gQAgET//4g3HQAQOhoAkPAfAAC/IgCQ5SUAQMQjANhuJwDwhSoAcJ4oANBaFgAgvRMAQOwUAA==

atoms_y:
gIQeAICEHgCouBwAAKwcAOicIADQryUAeOsPACgpGACAVREAYMsaADDhGwCAQxQAoEkgALiPMACAdzUAQFg1AEi6GwBgMB8AgBMcALDFLwAA2i8AYLIzABCUFQDARBkAABcRAHhkAADARQQAIHj5/w==

atoms_z:
gIQeAAAAAABgpAoAMB4CAGDZDABAxg0AMK4NAOCqGgCA4RsAoIUWADA6EwDwAhIAYAESABB2GgCg5BsAYGAXAHj6CgCgxwsA4NQOACDIAwCg3wcAQJwAAMh1AwAAigIAoN8HACjgBgDALQgAUHMFAA==

atoms_u_iso:
wKMAABCpAAD4mAAAgMoAAGDMAADo7gAAIOQAAMBXAQDgIgIAgDICAAgGAQBAkAIAgDICAHD9AACAtQEAQJACACj1AACgAwIAYOQBACgJAQCAMgIAIL8CAIAQAQCgAwIAYN4CAHACAQBgYQIAoIACAA==

qdat:
AAAAAAABAAAAAAAEAAgiAEIoAEQAYAAgsTIpIBtHIg3BRdSShcHg6XIJbTa7o6+X+4UteX9yr9Mvc+d+2986/96Xbv2+ur/f3/3+////+7v+91777v7/P63///btX/3+//3uer9///r6/+0en7//3+/e2/1/9v7dBv/dtd==


formula: Cd2 As2 O7
compound: <missing>
pub_title: Cadmium(II) diarsenate(V), Cd2As2O7
formula_title: Cd2As2O7
a: 6.9446
b: 9.0365
c: 4.8530
alpha: 90
beta: 101.770
gamma: 90
cell_volume: 298.146
crystal_density: 5.421
atoms_sites: ["Cd", "As", "O1", "O2", "O3"]
atoms_x: AAAAADi6DQAAAAAAsHQXAIBODgA=
atoms_y: OJISAAAAAAAAAAAAAAAAANBnCQA=
atoms_z: gIQeADCYNwAAAAAAwEENAHA7LAA=
atoms_occupancy: 0
atoms_u_iso: AK8AAPiEAADARQQAQOcAABDvAAA=
atoms_aniso_label: ["Cd", "As", "O1", "O2", "O3"]
atoms_aniso_u11: UJsAANBrAACgCQEAIEgBAEAAAQA=
atoms_aniso_u22: yKAAAMilAACg5QYAgLsAAPDSAAA=
atoms_aniso_u33: AMgAAOh7AABAfgUAQIMAAHD4AAA=
atoms_aniso_u12: AAAAAAAAAAAAAAAAAAAAABBAAAA=
atoms_aniso_u13: eA8AAAAUAABAEwIA0Lz//wAyAAA=
atoms_aniso_u23: AAAAAAAAAAAAAAAAAAAAAKBaAAA=
qdat:
AAAAAAAAAAAAAAAAAAAIAAgQAAAAAABEgAAAAAkAAIAAgEIGABBIAAACIBCAkCQQgxQAAEghBIRAwhUgihOCEQoARAA0HIDooipaAFqIBIAS8WQJKphnCogGoUcw4vYA1vI2UkRTHLhk7lsioUCq1XpNmo5ntHybjmkcI9==


formula: Sr Ni3 P4 O14
compound: <missing>
pub_title: SrNi3(P2O7)2
formula_title: SrNi3(P2O7)2
a: 7.4116
b: 7.6542
c: 9.4486
alpha: 90
beta: 112.194
gamma: 90
cell_volume: 496.304
crystal_density: 4.092
atoms_sites: ["Sr", "Ni1", "Ni2", "P1", "P2", "O1", "O2", "O3", "O4", "O5", "O6", "O7"]
atoms_x: gIQeAMA+CwAAAAAAAMckALg0NgAIRBgAOBomAGinLADAfykAwGg7AODsPAA4ijMA
atoms_y: AAAAAKA0JgAAAAAAUOoaAAD4KgAoOB0AQHoTANhWFwDYaiYAQBUjAOhfKwCIiDUA
atoms_z: AAAAANCSAQAAAAAAKEQMAODSCwCQvgsA6A0FAKBEFgAw1AoAOOQGAOBZFgAIxAYA
atoms_occupancy: 0
atoms_u_iso: 0KcAALCVAADwkQAAwI8AAFiOAACQsAAAELgAAGCuAAAArwAA8KoAAJitAAAArwAA
atoms_aniso_label: ["Sr", "Ni1", "Ni2", "P1", "P2", "O1", "O2", "O3", "O4", "O5", "O6", "O7"]
atoms_aniso_u11: +KIAAEiUAABwlAAAqIkAAGiSAABwlAAAwMEAAMCoAADAjwAAYLgAAFDDAABAtQAA
atoms_aniso_u22: aLAAAHCUAAAQiwAAsJUAAECIAADgxAAAgLsAAGC4AACgpQAA8KAAAPCgAACAogAA
atoms_aniso_u33: sLMAANifAABYnQAACJgAAGiXAAAAyAAA8LkAANCdAACg1wAAgLsAACCZAABQwwAA
atoms_aniso_u12: 2P///zACAAB4AAAAYP///0j+//9gCQAAMPj//5ABAAAg6v//kAEAABD1//9ABgAA
atoms_aniso_u13: gFIAAGhCAACgQQAAwD8AAIhAAACwTwAA8FUAAHAwAADgRwAAMFwAAJAzAADwVQAA
atoms_aniso_u23: 4AEAAIACAAAoAAAAyAAAAMgAAACgDwAAUOL//2AJAADQBwAA8PH//8D5//9QFAAA
qdat:
AAAAAAAAAAAAAAAIAAQAEAAAgAEMABEIBEAGIAEQAgDBAZRNABARCoG0hQISS/GhAVhRFsQZmcCxJO3Ei8/kRWyt4lPOcbqtn6e2sUP/863Xakf/v3cdSvu2v2v7/f1vtT6/eubrvv70/O+/51y/+/+9/uc/3N/596z/9/==


formula: Na4 U C3 O11
compound: <missing>
pub_title: Trigonal Na4[UO2(CO3)3] Note: synthetic polymorph of cejkaite
formula_title: Na4[UO2(CO3)3]
a: 9.3380
b: 9.3380
c: 12.8170
alpha: 90
beta: 90
gamma: 120
cell_volume: 967.887
crystal_density: 3.720
atoms_sites: ["Na1", "Na2", "Na3", "U", "C", "O11", "O12", "O13", "O1", "O2"]
atoms_x: AAAAAAAAAABwefj/VVgUANCFBADg0QIAMAgOAKDQ/f9VWBQAVVgUAA==
atoms_y: AAAAAAAAAACAtyIAq7AoAHADFABQhRsAMAQXAFAECwCrsCgAq7AoAA==
atoms_z: AAAAAEBCDwBYjAcAsPIHAADQBwAgPQcAwMMIALBwBwCgkBAAIFT//w==
atoms_occupancy: 0
atoms_u_iso: UFkBANBlAQDwzAEAYL0AADALAQAgrAEAMLoBADBvAQBAZAEAYE4BAA==
atoms_aniso_label: ["Na1", "Na2", "Na3", "U", "C", "O11", "O12", "O13", "O1", "O2"]
atoms_aniso_u11: IEgBAKCGAQDgDwEA0LYAAMDaAACwSQEAUMMAANDoAABgZwEAQJYBAA==
atoms_aniso_u22: IEgBAGBnAQBgHAEA4KsAAMDaAACg1wAAMNkAAKC+AACghgEAAHcBAA==
atoms_aniso_u33: AHcBAIA4AQCgLwMAgNQAACBIAQAA7gIAoHoDAABxAgDAVwEAIMsAAA==
atoms_aniso_u12: QJwAAIC7AADQhAAAIE4AALBPAADAjwAAoFoAAKBBAACAuwAAgLsAAA==
atoms_aniso_u13: AAAAAAAAAACw0v//AAAAAPA8AACQAQAAwBIAANAHAAAAAAAAAAAAAA==
atoms_aniso_u23: AAAAAAAAAADgFQAAAAAAAGAiAACQGgAAYCIAAJDo//8AAAAAAAAAAA==
qdat:
AAAAAAAAAAAAAgAAIAAABAEBABABAACACQQQAAhCACQABCCJAkDRCJIEEgBJCUkASYHLEqMKnBjBxiDdNSHIfKcQKKWxz73EOJ06F090xHqTDsChdfl8/Hjrk581X1MNM1kPtDTc3+v+b4c7Y0zZkbaNLdHkR359Ij1sMh==


formula: Er Mn O3
compound: <missing>
pub_title: Hexagonal ErMnO3
formula_title: ErMnO3
a: 6.1121
b: 6.1121
c: 11.4200
alpha: 90
beta: 90
gamma: 120
cell_volume: 369.469
crystal_density: 7.286
atoms_sites: ["Er1", "Er2", "Mn", "O1", "O2", "O3", "O4"]
atoms_x: AAAAAFVYFAAAAAAAAAAAAAAAAAAAAAAAVVgUAA==
atoms_y: AAAAAKuwKABAuhQAEO4VABAAEwAAAAAAq7AoAA==
atoms_z: KBjy/xgCDgBA2f//sPX1/0DjCQBgef7/kPsAAA==
atoms_occupancy: 0
atoms_u_iso: QIMAABCLAACgjAAAgLsAAIC7AABAnAAA4KsAAA==
atoms_aniso_label: ["Er1", "Er2", "Mn", "O1", "O2", "O3", "O4"]
atoms_aniso_u11: UJEAAKCMAACgvgAAwNQBAEAZAQBAnAAAIMsAAA==
atoms_aniso_u22: UJEAAKCMAAAQpAAAAH0AAIC7AABAnAAAIMsAAA==
atoms_aniso_u33: sGgAAICJAAAASwAAgD4AAAB9AACgjAAAAH0AAA==
atoms_aniso_u12: cEkAAFBGAABQXwAAYOoAAKCMAAAgTgAAIGcAAA==
atoms_aniso_u13: AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
atoms_aniso_u23: AAAAAAAAAABwFwAAYPD//6APAAAAAAAAAAAAAA==
qdat:
AAAAAAAAAAAAAAAAAAIBAAAAAAAgAAAAAAIECABEACACgAAAAAQAIAgkAQEYAAQBBAABETAoBLABkCAQQwFIBAIRQISSEDKAoDBBKEJAGGwNIQQiAUMAyAKIYSDVQhMFBhBhKIBIIbMXBAibFJgKE7kJDBFGZgpYoQ2gxg==


formula: Sr3 Al10 Si O20
compound: <missing>
pub_title: A powder diffraction study of Sr3Al10SiO20
formula_title: Sr3Al10SiO20
a: 15.1416
b: 11.1843
c: 4.90256
alpha: 90
beta: 108.117
gamma: 90
cell_volume: 789.079
crystal_density: 3.707
atoms_sites: ["Sr1", "Sr2", "Al1", "Si1", "Al2", "Si2", "Al3", "Al4", "O1", "O2", "O3", "O4", "O5", "O6"]
atoms_x: gDsNAAAAAACwOAgAsDgIAFCpFQBQqRUAAAAAAAAAAADwNwUA4KIOAED/FQDwHRoAIAQEAFB+GAA=
atoms_y: AAAAAICEHgDw7gwA8O4MANBtCADQbQgAANAHAAAAAABwCA8AMKkIAGA3CQAAPhcAAAAAAAAAAAA=
atoms_z: oBQtAAAAAAAA9gkAAPYJAHAvFQBwLxUAgIQeAAAAAACQLRoA0METAAAyAABgYgYAUIQXAEAHHQA=
atoms_occupancy: AAk9AAAJPQDgZzUAIKEHAOBnNQAgoQcAAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQA=
atoms_u_iso: gAYBAHDGAADQOQAA0DkAABCLAAAQiwAAUHgAACDLAACAVwAAgFcAAIBXAACAVwAAgFcAAIBXAAA=
atoms_aniso_label: "<missing>"
atoms_aniso_u11: 0
atoms_aniso_u22: 0
atoms_aniso_u33: 0
atoms_aniso_u12: 0
atoms_aniso_u13: 0
atoms_aniso_u23: 0
qdat:
AAAAAAAAAAABAAEAAACAAAECAAAIAwIAAACGAkgAQAgCAkgMSIALAICo0E0oGQENAA3NCw6ahQS2YWcAPtulWBmpTF3zriHFPZlJp3HPFAj42MWXM8yYu/3WIIJE1vmwhDqESGrgybIlwKEmxtXZAQPLvLYRRMHAtjeG0S==


formula: Li B O4 H4
compound: <missing>
pub_title: Refinement of lithium tetrahydroxoborate with low-temperature CCD data
formula_title: LiB(OH)4
a: 7.9362
b: 8.5220
c: 9.1762
alpha: 90
beta: 90
gamma: 90
cell_volume: 620.607
crystal_density: 1.836
atoms_sites: ["Li", "B", "O1", "O2", "O3", "O4", "H1", "H2", "H3", "H4"]
atoms_x: 8AwIAGATFABAAQoASOIRADjgGQC4fRoAoOsFACBBFwCABx4AIMQWAA==
atoms_y: UNUWAKiEFAB4xhEAoG4ZANj4GgAwsAsA4CwRAGDFGwDAMRgAICQHAA==
atoms_z: gGgSAAAxJAAo9icAaLgbAPgAKgB4BSMAsPQjAECDGQBg3CwAgCchAA==
atoms_occupancy: 0
atoms_u_iso: cMYAABCLAACImgAA8LQAABicAACQqwAAgLUBAMBRAgDgpQEA4KUBAA==
atoms_aniso_label: ["Li", "B", "O1", "O2", "O3", "O4"]
atoms_aniso_u11: 4N0AAKCMAACwgQAAYJ8AAFCqAADgkgAA
atoms_aniso_u22: 0M8AAMCPAAAQvQAAQOcAAMCPAADQnQAA
atoms_aniso_u33: EKQAAECDAABQkQAAIJkAALCaAADw0gAA
atoms_aniso_u12: YPD//+D8///A+f//AM7//4AMAADQBwAA
atoms_aniso_u13: oPb//7AEAABABgAA0O7//wDO//8Q9f//
atoms_aniso_u23: MPj//9AHAAAQDgAA4C4AAHD+//9Q4v//
qdat:
AAAAAAAAAAAAAAAAAAAAAIBAEAIQAQQIAEBAghCABASgQqCMgSGBzFQJBlTJYKUF4cB1cTHNzqqbEbLxy9dq/82b4z3J/12/tsd/bvvn++32713v7ff+//+zvd/9f///7/v3+73///v/7/33+/3/v+e//ef//Pi3b/r9vz==


formula: Na S O4 H5
compound: <missing>
pub_title: Rerefinement of sodium thiosulfate pentahydrate
formula_title: Na2S2O3*5H2O
a: 5.9470
b: 21.574
c: 7.5260
alpha: 90
beta: 103.820
gamma: 90
cell_volume: 937.637
crystal_density: 1.758
atoms_occupancy: 0
atoms_aniso_label: ["Na1", "Na2", "S1", "S2", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8"]
atoms_aniso_u11: wCUBALBJAQAAdwEAcMYAAFBZAQBQWQEAoAMCAFBAAQBQvQEAEDoBACD3AQAAXgEA
atoms_aniso_u22: oAMCAIDOAQBgZwEAEGwBABDKAgAQmAIAEGwBABBNAgBwpwEA4IYCAADCAQBwJAIA
atoms_aniso_u33: ANsBAACjAgBArwEA0EwBALDGAQCwKgIAQCwCALDZAgCQwwEAYP0BAPAXAgAQ/AIA
atoms_aniso_u12: oA8AAIDz//8Y8v//iP///3D+//9AUQAA4Mr//0AGAADwv///ABkAACDq//+wNgAA
atoms_aniso_u13: AGQAADBcAADoTgAAOEoAANC8//8QCAEAsP4AAFBfAABAagAAsDYAAFBGAABAnAAA
atoms_aniso_u23: EA4AAODj//+I4f//UAoAACDq//9gIgAAAAAAAPC////QIAAAQNT//6AoAADQUgAA
atoms_sites:
["Na1", "Na2", "S1", "S2", "O1", "O2", "O3", "O4", "H1", "H2", "O5", "H3", "H4", "O6", "H5", "H6", "O7", "H7", "H8", "O8", "H9", "H10"]

atoms_x:
4CUsAGiDDwD4OAYAAAsJACCeFAAg6fv/UGIMAEADJgBgZSsAoNIeAICEBQCgaAYAQO8HANCHJQCgfiwAgNclAKCyNABgLzQAQPMwAJB1JwCAeCAA4J0sAA==

atoms_y:
uLEJAJCXBQCIKAQA8KIIAFjNBwB4WwkAuOsLAKguEABwRxEAsJ4QAPhbCwCQbgsAsGUNAMgRCACQ8AYAkN4JAAgxAwDgjAEAEH8CAJDnAABQ1gEAMAUCAA==

atoms_z:
iAkjANCpKwAogQYAmO0QAKCLGgDQZhQAeKAKAGB2JACAxSgAQLglAGB/LwAAMzYAwMYtALBDNABAyTcAYJQ4AFAwJQAABCkAYLMeAEAQDwDg4AwAYKgLAA==

atoms_u_iso:
kKoBAMDtAQBAhwEAQCgBANAUAgBQ7wEA0MkBAJAnAgAgQgIAQIoDAKC4AQBgYQIAgK8CAODwAQBgWwMAIL8CALD4AQCArwIAwEsDAAAmAgBADQMAwEUEAA==

qdat:
AAAAAAAAACAAAAAQAIREEAAIQAUES0IAUAKILOHQRYdamIsYMKGd0Z7IpO42PeWSZFTslxm1vdx6Vbea6mco6Y+d35jx/RrTVwzFP/37us31T78t+3r376e//3OnM5eru/e92M3dy/735Y1/+/aZG/f/+7+/7fjSv1/9//==


formula: Pb I F
compound: <missing>
pub_title: Matlockite-type PbFI
formula_title: PbFI
a: 4.2374
b: 4.2374
c: 8.800
alpha: 90
beta: 90
gamma: 90
cell_volume: 158.009
crystal_density: 7.422
atoms_sites: ["Pb", "I", "F"]
atoms_x: QEIPAEBCDwDAxi0A
atoms_y: QEIPAEBCDwBAQg8A
atoms_z: QAEKAOh2KAAAAAAA
atoms_occupancy: 0
atoms_u_iso: kF8BAJAUAQDAVwEA
atoms_aniso_label: ["Pb", "I", "F"]
atoms_aniso_u11: IBYBALDlAACgCQEA
atoms_aniso_u22: IBYBALDlAACgCQEA
atoms_aniso_u33: 4PABAFByAQAA9AEA
atoms_aniso_u12: AAAAAAAAAAAAAAAA
atoms_aniso_u13: AAAAAAAAAAAAAAAA
atoms_aniso_u23: AAAAAAAAAAAAAAAA
qdat:
AAAAAAAAAAABAAAAAAAAAAABAAAAAAAAAAACAAAAAAAAAAACAIBAAABAAAAEAgAAAAAACAhEABAAAIEAAAAIEABAAAABAAAQBABEgCAAAgAYCCEQAQAIQAwgIAgAAEABBIAEAAAAAQoBIBAAIDACKAQAkBCCRggBIAJIEA==


formula: Pb Ga B O4
compound: <missing>
pub_title: PbGaBO4, an orthoborate with a new structure-type
formula_title: PbGaBO4
a: 6.9944
b: 5.8925
c: 8.2495
alpha: 90
beta: 90
gamma: 90
cell_volume: 339.999
crystal_density: 6.871
atoms_sites: ["Pb", "Ga", "B", "O3", "O1", "O2"]
atoms_x: wMgDAAAAAACwWPL/EB71/9AuBgDQegoA
atoms_y: QEIPAAAAAABAQg8AwL3w/8C98P/gJ/3/
atoms_z: 8OUVAAAAAACQ5O//EJ8FAGAB+f8guwsA
atoms_occupancy: 0
atoms_u_iso: AGQAADA+AABAOAAA0GsAABBAAAAQcgAA
atoms_aniso_label: ["Pb", "Ga", "B", "O3", "O1", "O2"]
atoms_aniso_u11: 6GcAAEhOAAAgNQAA0IQAABAnAADwoAAA
atoms_aniso_u22: OIsAABgzAABQRgAAEHIAAGA7AABAUQAA
atoms_aniso_u33: 4DgAADA5AADgLgAAAEsAADBcAAAAZAAA
atoms_aniso_u12: AAAAAIgOAAAAAAAAAAAAAAAAAAAAGQAA
atoms_aniso_u13: YAkAALD1//9A7f//gD4AANAHAABQsP//
atoms_aniso_u23: AAAAABjy//8AAAAAAAAAAAAAAABw/v//
qdat:
AAAAAAAAAAAAAAAAAAACABAAAIEAAEgAEAJEAgAICggSCAWAUAhCAgVBBADhRUmDA0wVDCxwoRYVUy2vUxhDwt6ZaxXzdrasPXUXMUKf+7v/Kay/F2V2f/8/fXd/lrdvt8//3HLfW/u//f1Ut/+/sz5fzfvvv//8N/7e3f==


formula: Yb Mn O3
compound: <missing>
pub_title: Hexagonal YbMnO3 revisited
formula_title: YbMnO3
a: 6.0584
b: 6.0584
c: 11.3561
alpha: 90
beta: 90
gamma: 120
cell_volume: 360.974
crystal_density: 7.617
atoms_sites: ["Yb1", "Yb2", "Mn", "O1", "O2", "O3", "O4"]
atoms_x: AAAAAFVYFABVWBQAYH4SAKAIFgAAAAAAVVgUAA==
atoms_y: AAAAAKuwKAAAAAAAAAAAAAAAAAAAAAAAq7AoAA==
atoms_z: QK8QAEgTDgCw4f//kN4JAGDh9f9AXf7/ACwBAA==
atoms_occupancy: 0
atoms_u_iso: uEIAAMBJAABgVAAA8DwAAKBzAACAPgAAMFwAAA==
atoms_aniso_label: ["Yb1", "Yb2", "Mn", "O1", "O2", "O3", "O4"]
atoms_aniso_u11: cEkAALA2AADQawAAIE4AAMDaAADgLgAAoIwAAA==
atoms_aniso_u22: cEkAAEA4AAAASwAAkBoAAJABAADgLgAAoIwAAA==
atoms_aniso_u33: sDYAAPBuAADwPAAAEEAAAJAzAAAgTgAAAAAAAA==
atoms_aniso_u12: 8CMAACAcAACAJQAAEA4AAAAAAAAAGQAAcEkAAA==
atoms_aniso_u13: AAAAAAAAAAAgAwAAUOL//yADAAAAAAAAAAAAAA==
atoms_aniso_u23: AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
qdat:
AAAAAAAAAAAAAAAAAAEAgAAAAAAQAAAAAAEBBAARAAgAoAAAAAEABAIIgCBBAACAEQAAQSIEgRMAEAIBBEghAAAgkhBEwIOkAQGBEUIyAKZQiAwRiAwQAkASAUhESohKBBhBRMAAoANGbggRNiAAEiLRGIQhBkkGWKCIkI==


formula: (Mn.95 Fe.05) S
compound: Synthetic
pub_title: Mn1-xFexS, x=0.05, an example of an anti-wurtzite structure
formula_title: <missing>
a: 3.982
b: 3.982
c: 6.445
alpha: 90
beta: 90
gamma: 120
cell_volume: 88.503
crystal_density: 3.267
atoms_sites: ["Mn", "Fe", "S"]
atoms_x: q7AoAKuwKACrsCgA
atoms_y: VVgUAFVYFABVWBQA
atoms_z: AAAAAAAAAAA4/CUA
atoms_occupancy: wPs5AEANAwAACT0A
atoms_u_iso: oPAAAKDwAAAA4QAA
atoms_aniso_label: ["Mn", "Fe", "S"]
atoms_aniso_u11: wPMAAMDzAADw0gAA
atoms_aniso_u22: wPMAAMDzAADw0gAA
atoms_aniso_u33: 0OgAANDoAACQ+wAA
atoms_aniso_u12: MHoAADB6AACwaAAA
atoms_aniso_u13: AAAAAAAAAAAAAAAA
atoms_aniso_u23: AAAAAAAAAAAAAAAA
qdat:
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAEAEAAAAAAAAAEAAAAAAACAAAAEAACBBAAgAABAACAAAAABAAIAgCAACAAgAgAAgACEAAAEgIAQAAAESBAAZAACABAEECACIIBAhAIMAAIBAQQgBMAASIAIABDCAaABKECkEAkQ==


formula: K4 C2 O9 H6
compound: <missing>
pub_title: Dipotassium carbonate sesquihydrate: rerefinement against new intensity data
formula_title: K2CO3*1.5H2O
a: 11.8175
b: 13.7466
c: 7.1093
alpha: 90
beta: 120.7690
gamma: 90
cell_volume: 992.340
crystal_density: 2.212
atoms_sites: ["K1", "K2", "K3", "C", "O1", "O2", "O3", "O4", "H4A", "O5", "H5A", "H5B"]
atoms_x: AAAAAAAAAAC4uRUAEMYLAKh+BgCgJRIAQM4KAAAAAABghfz/EAoJAMCeCgAgiQsA
atoms_y: qE8XAKDqKQBwXBUA8JYKAEDfDQBYOgkAkKgIAIDu//+A5v3/sAEcAMBrHwAgKRsA
atoms_z: QEIPAEBCDwBA6hsAWEQJAPhYCQAIXBQAsCT+/0BCDwCAfwoAYB0FACAeCADAzgIA
atoms_occupancy: 0
atoms_u_iso: ADYBAGBdAQBgbAEAOPkAAOBkAQA4TgEAsK0BAFAbAwAgvwIAENABAIAyAgDASwMA
atoms_aniso_label: ["K1", "K2", "K3", "C", "O1", "O2", "O3", "O4", "O5"]
atoms_aniso_u11: SCUBAOCHAQAogQEA0AEBADBWAQBQDgEAoOoBAFAbAwDA1AEA
atoms_aniso_u22: UHIBABigAQAwnAEAQAABAHCnAQBQcgEAcAsCABCFAQAQbAEA
atoms_aniso_u33: GPYAAJAKAQDAEQEAUNwAAEBLAQCABgEAkBQBAKCyAgDAgwIA
atoms_aniso_u12: AAAAAAAAAAB4IwAAgPP//xByAADQIAAA4BUAAAAAAABQ4v//
atoms_aniso_u13: SHsAAKi7AADQmAAAEHIAAKC+AAAQQAAAcMYAAPAKAABQWQEA
atoms_aniso_u23: AAAAAAAAAAAgFwAAIAMAAMBEAAAgHAAA0KP//wAAAADgyv//
qdat:
AAAAAAAAAAAABAAQAAAACAAgAqAAAAEBAQIgREEEAQAghTEARgUIQCICIxEBI3EKYBUkdowIHFS3QjtjyjWmyJrgjryu9SeEcaw3KXH445C83ELvNFvrmmGFNvLF2ZkP5RgVPUCo3Tuc0hXUO3SrKOcj9aGmHuMBhkxMZx==


formula: Hg5 S2 O9
compound: Synthetic
pub_title: Schuetteite, Hg3(SO4)O2, a re-investigation
formula_title: <missing>
a: 7.0429
b: 7.0429
c: 10.0166
alpha: 90
beta: 90
gamma: 120
cell_volume: 430.283
crystal_density: 9.348
atoms_sites: ["Hg1", "Hg2", "S", "O1", "O2A", "O2B", "O3A", "O3B"]
atoms_x: wIkLABDjKgDwnQ0AkHoJAACgDwAgHggAYFoYAGDdFwA=
atoms_y: OMceAAAAAAAAAAAAgIodAEBUDADggQcAgKMEAGA9CAA=
atoms_z: YDwTAFVYFABVWBQAoP0CACC8DwAghBAAoJ8aAGBOGgA=
atoms_occupancy: AAk9AAAJPQAACT0AAAk9AICEHgCAhB4AgIQeAICEHgA=
atoms_u_iso: GPEAANjqAABAGQEAEAgBAOClAQDgpQEAoIYBAKCGAQA=
atoms_aniso_label: ["Hg1", "Hg2", "S", "O1"]
atoms_aniso_u11: QLUAAEjVAADwHQEAoIwAAA==
atoms_aniso_u22: WMoAAECcAACwFwEAYG0AAA==
atoms_aniso_u33: mDkBAKA7AQAgFgEAgLUBAA==
atoms_aniso_u12: aEwAAHBOAAAQiwAAYPD//w==
atoms_aniso_u13: qO7//6AKAAAw+P//YPD//w==
atoms_aniso_u23: KPb//+AVAADQ7v//YPD//w==
qdat:
AAAAAAAAAAAAAAAAAQAAQAAAAAAgACAMAAIDIAAAQAAQAYGAAAgMEAQyAAAEYBHgAoIICMAFCIDWAGC4J4AACLcAaVFOAwuXQDWA+ACsvwseSwoaXQtcHAApbFqlQiYuFDjoCJcO6NFnXCmDgEmhzawynjvGgG+V5IxVgz==


formula: Lu Mn O3
compound: <missing>
pub_title: Hexagonal LuMnO3 revisited
formula_title: LuMnO3
a: 6.0380
b: 6.0380
c: 11.3610
alpha: 90
beta: 90
gamma: 120
cell_volume: 358.702
crystal_density: 7.719
atoms_sites: ["Lu1", "Lu2", "Mn", "O1", "O2", "O3", "O4"]
atoms_x: AAAAAFVYFADQhev/IEPt/yDx6f8AAAAAVVgUAA==
atoms_y: AAAAAKuwKADQhev/IEPt/yDx6f8AAAAAq7AoAA==
atoms_z: ULgQALAPDgD48///oAUKAKAA9v+wQv7/4CgBAA==
atoms_occupancy: 0
atoms_u_iso: cEQAAOBHAAAASwAA0FIAAEBqAAAgNQAAUHgAAA==
atoms_aniso_label: ["Lu1", "Lu2", "Mn", "O1", "O2", "O3", "O4"]
atoms_aniso_u11: wEQAABBAAADQUgAAYG0AAMBdAACAPgAAoIwAAA==
atoms_aniso_u22: wEQAABBAAADQUgAAYG0AAMBdAACAPgAAoIwAAA==
atoms_aniso_u33: MEMAAIBXAADwIwAAgD4AAGBtAABAHwAAIE4AAA==
atoms_aniso_u12: YCIAANAgAAAAGQAAIE4AAEAfAACwHQAAUEYAAA==
atoms_aniso_u13: AAAAAAAAAAAw+P//cBcAAODj//8AAAAAAAAAAA==
atoms_aniso_u23: AAAAAAAAAAAw+P//cBcAAODj//8AAAAAAAAAAA==
qdat:
AAAAAAAAAAAAAAAAAAEAgAAAAAAQAAAAAACBBAAIgAgAYAAAAACAAgEIQCBAQABAEIAAIIkBQRGAEAEAgmQIgAAISRBhYCLRAIFAURCYgCqURAoEQgIIAnAEQFQSMqEsgQoIKKAAmABg1sECK0QAAYSUKiCKIUog6qQQkh==


formula: Cu Se O9 H10
compound: <missing>
pub_title: Copper(II) selenate pentahydrate, CuSeO4*5H2O
formula_title: CuSeO4*5H2O
a: 6.0830
b: 6.2260
c: 10.867
alpha: 77.14
beta: 82.20
gamma: 72.91
cell_volume: 382.430
crystal_density: 2.576
atoms_occupancy: 0
atoms_aniso_label: ["Cu1", "Cu2", "Se", "O1", "O2", "O3", "O4", "OW5", "OW6", "OW7", "OW8", "OW9"]
atoms_aniso_u11: cOkAAMC8AACQoQAAUCcBAPCBAQCgbQEAYNEAAHDfAABwEQEA0JcBACBIAQCAzgEA
atoms_aniso_u22: +PwAADjCAADgqwAAQJYBAPA2AQAA+gAAMG8BADC6AQBQ9QAA4KUBAPCBAQBAGQEA
atoms_aniso_u33: GOIAALgUAQAI2QAA0MkBABAIAQDQTAEAIHoBACBuAwDAtQIAkF8BAHARAQDQyQEA
atoms_aniso_u12: cLj///i3//+Q3v//QLv//7C5//8wXAAAUH7//yC4//8Atf//MDD//zDG///Qo///
atoms_aniso_u13: 6NH//wAjAADA+f//MMb//zBDAAAAzv//EA4AACAcAABAtQAAoJL//+Dj///Q7v//
atoms_aniso_u23: QN7//3ir//+A0P//oPz+/wAZAABw5f//4Jj//xAz/v8wxv//4OP//2AJAACAwf//
atoms_sites:
["Cu1", "Cu2", "Se", "O1", "O2", "O3", "O4", "OW5", "OW6", "OW7", "OW8", "OW9", "H51", "H52", "H61", "H62", "H71", "H72", "H81", "H82", "H91", "H92"]

atoms_x:
gIQeAICEHgBYUAcAwBQIANCsCgCAaBIAYD/3/wCLHwAg5wwAsIAVAKCLFQDwjwcA4BUZAMBzJgCAFAcAIAwLAEC5EADA9xAAQN0KAGBUGQCA/AoAYLQJAA==

atoms_y:
AAAAAICEHgAIhDwAoIgJANCrBgAQ+iwAQLc6ABDmDgBAPxwA0O4xAEBPEQAg+SIAwIwNAKDTCQBAyiIAAP8UACC3LQDAEzYAYGwVAECtEgAApSMAQH0aAA==

atoms_z:
gIQeAAAAAABwADAAMNY1AHgGJwA4+jEAON0wANhdOABg0QUAqDMaAOhQFwBY+iUAYJo3AGCgNgCg6wUAICQHAEBrHQBAlRYAAHYWACDWEwAgUikAABYmAA==

atoms_u_iso:
oOsAAGDWAABQuQAA8GgBAHBcAQDQZQEAQDIBAODXAQCwrQEAcHUBAHBcAQBAlgEAoP0CAECQAgAAcQIAIL8CAMBRAgAA7gIAQH4FAMDOAgCArwIAYFsDAA==

qdat:
AAAAAAAAABAAAAAAAAiBgDAAgBgAACACCCEPaGADTAoMAgDAkMEXRTdZ4iSlNBQTCdCc5teu9UA/m5Z9uUAgvfH3r396F3Bj/7v+xRv/9f3+//+u22jfe326/379+1377/z3faH+7z/v3u3d9+T9V9r36///7///+v1v0/==


formula: Zn S O8 H8
compound: Synthetic
pub_title: Zinc(II) sulfate tetrahydrate
formula_title: <missing>
a: 5.904
b: 13.519
c: 7.883
alpha: 90
beta: 90.26
gamma: 90
cell_volume: 629.184
crystal_density: 2.465
atoms_x: cEMaACCqEgBQBQ8AQGUeANBkFgCAlwYA0F0TAKAyDwCAqBgAwGgsAKDdMQCgEykAUBYIAADoAwBgtAkA8HElAOCvKQAApSMA
atoms_y: 6DYYAAjvFwBQDhoAsHUbADCMEQDg4xgAwE4PAIBnDgAggwwA8OoVAEAqEwBAEhcAUMMZAEDuHABgVBkAoOkWAOC2EwBg3RcA
atoms_z: QCwRAFBKKQDwzR4A4GUtANA9KQBAEjAAkEoRAID2CwCgnRIAoEEZAMA+GgBA4h4AgO8IAGC0CQAgvwIAYI0DAECKAwAAj/3/
atoms_occupancy: 0
atoms_u_iso: oKUAAMCPAAAgsgAAwNoAAMDBAACwswAAMNkAACBIAQAgSAEA8NIAAIA4AQCAOAEAkOIAAMBXAQDAVwEA0OgAAMBXAQDAVwEA
atoms_aniso_label: ["Zn", "S", "O11", "O12", "O13", "O14", "O1", "O2", "O3", "O4"]
atoms_aniso_u11: sJoAAACWAADgqwAAgDgBACDLAABAnAAAwNoAAAD6AACAOAEAgDgBAA==
atoms_aniso_u22: UJEAANBrAADA2gAAwF0AAKCMAAAAfQAAgLsAAMDaAAAgywAAIMsAAA==
atoms_aniso_u33: cMYAAACvAACgjAAAAPoAAGDqAAAA+gAAAPoAAOCrAADgqwAA4KsAAA==
atoms_aniso_u12: oPb//+D8//8g0f//gMH//8Dg//8AAAAAwF0AAMBdAADAXQAAAH0AAA==
atoms_aniso_u13: wPn//3Dl//+gDwAAAIP//6APAABAHwAAoJL//wAAAAAAAAAAQB8AAA==
atoms_aniso_u23: oPb//2AJAACgkv//QB8AAAAAAAAg0f//QB8AAMDg//+gDwAAAAAAAA==
atoms_sites:
["Zn", "S", "O11", "O12", "O13", "O14", "O1", "H11", "H12", "O2", "H21", "H22", "O3", "H31", "H32", "O4", "H41", "H42"]

qdat:
AAAAAAAAAAAAAAAMACAIIAAEAAFiAQBgwiAOIASEDgLAOQcwImcEEXwPWg+m6Xgp9Bx8UKf8jfDPz81+v37zh3qfP89jL763u/zm/g/n5s2/917fX+9c7v29//t//b6769z//+/s/z/mXZ//+7vzn+r3/N/3SXnL9+z7vk==


formula: Mn3 As O8 H4
compound: Synthetic
pub_title: Redetermination of the mixed-valence manganese arsenate flinkite, MnII2MnIII(OH)4(AsO4)
formula_title: <missing>
a: 9.483
b: 13.030
c: 5.3390
alpha: 90
beta: 90
gamma: 90
cell_volume: 659.705
crystal_density: 3.743
atoms_sites: ["Mn1", "Mn2", "As", "O2", "O4", "O5", "O-h1", "O-h3", "H1", "H3"]
atoms_x: AAAAAHhAAQAYawkA0En6/4BMBgBQPAoAcKAIADjx+f8AxAkAYLX0/w==
atoms_y: AAAAACjzBwDAxi0AkMsIAMDGLQBAQg8A0AwFAHA/AAAA0AcAIEgBAA==
atoms_z: AAAAAOh8HQCwmQEA8IcyAKAaLADA3CEAwKQJAED4EgAgvwIAwG4SAA==
atoms_occupancy: 0
atoms_u_iso: gHoAAOijAAAYYAAAsLMAABC9AACgpQAAoKUAAMCPAADA1AEAwNQBAA==
atoms_aniso_label: ["Mn1", "Mn2", "As", "O2", "O4", "O5", "O-h1", "O-h3"]
atoms_aniso_u11: wHYAAJDJAAD4ZgAA8OsAAKAJAQDgYAAAsJoAAFB4AAA=
atoms_aniso_u22: cJQAAFiJAADwVQAAMI4AAOCrAACgjAAAcK0AAFCqAAA=
atoms_aniso_u33: kGUAAKiYAABgYwAAgKIAAECDAABgAwEAwKgAABCLAAA=
atoms_aniso_u12: CPj//4D4//8AAAAAsDYAAAAAAAAAAAAAkOj//+AVAAA=
atoms_aniso_u13: EAQAANAHAAAoBQAAECcAANDV//8QDgAAsAQAABAOAAA=
atoms_aniso_u23: YOv//8j2//8AAAAAsOv//wAAAAAAAAAA8PH//6D2//8=
qdat:
AAAAAAAAAAAAAAAAgAAAAQUFAAAKAECQSiAAAAU4BGIDTjgpYhaogxiKGQi/NSxdNYzO4uF3wWzrRs3T7dp9Z2jr/99n/b6Nq//2//+9z2/Pv1a/d/f1m/+e39+L3//fn7r153Wvu3/9n63+N5/b3SmUnttbBfudf+e93+==


formula: Pb Mn V O5 H
compound: Synthetic
pub_title: Refinement of pyrobelonite, PbMnIIVO4(OH), a member of the descloizite group
formula_title: <missing>
a: 7.646
b: 6.1790
c: 9.507
alpha: 90
beta: 90
gamma: 90
cell_volume: 449.155
crystal_density: 5.828
atoms_sites: ["Pb", "Mn", "V", "O1", "O2", "O3", "O-h4", "H"]
atoms_x: 8BsIAAAAAAAoSRYAoHwLAHAAIQAAwRYAUI0JAODUDgA=
atoms_y: QEIPAAAAAADAxi0AwMYtAMDGLQCATB8AQEIPAEBCDwA=
atoms_z: 6NUKAICEHgAw/hIAIBYaANA5GQCwzwwAQOcZAKBhHAA=
atoms_occupancy: 0
atoms_u_iso: sKkAAJBlAADwQQAAIIAAACAWAQDwoAAAgHAAAIA4AQA=
atoms_aniso_label: ["Pb", "Mn", "V", "O1", "O2", "O3", "O-h4"]
atoms_aniso_u11: +J0AABCLAACQTAAAsJoAALCBAAAQ1gAAIE4AAA==
atoms_aniso_u22: 0AsBAJBMAAAASwAA8IcAAEATAgBAgwAAQGoAAA==
atoms_aniso_u33: IFMAABBZAABQLQAAoFoAAKClAAAQiwAAIJkAAA==
atoms_aniso_u12: AAAAABD1//8AAAAAAAAAAAAAAADAEgAAAAAAAA==
atoms_aniso_u13: 8AAAACADAADAEgAAwCsAAKDE//8wKgAAkM///w==
atoms_aniso_u23: AAAAAIAMAAAAAAAAAAAAAAAAAADQ7v//AAAAAA==
qdat:
AAAAAAAAAAAAAAAAAEAAQAgAIAgIAEAgQBgRAQQkEAGighSABaABiBLLCqJwKFyBkI8FS65MqVqk6Tp3xH46ndndf3Tmp7b6+6vbv3792/1bP+f//t3+v33c3Or3844+v//8+/9+27//f/3b/8+rvf93/+29+2+/5v3/1b==


formula: Yb.5 (Co.5 Ga.5) O2
compound: <missing>
pub_title: Ytterbium cobalt gallium oxide, YbCoGaO4, as grown by the floating zone technique
formula_title: YbCoGaO4
a: 3.41650
b: 3.41650
c: 25.1220
alpha: 90
beta: 90
gamma: 120
cell_volume: 253.950
crystal_density: 7.174
atoms_sites: ["Yb", "Co", "Ga", "O1", "O2"]
atoms_x: AAAAAAAAAAAAAAAAAAAAAAAAAAA=
atoms_y: AAAAAAAAAAAAAAAAAAAAAAAAAAA=
atoms_z: AEsAAIgaDQCIGg0AkMcRAFDkBwA=
atoms_occupancy: gIQeAICEHgCAhB4AAAk9AAAJPQA=
atoms_u_iso: 0DkAAMArAADAKwAAoFoAANDPAAA=
atoms_aniso_label: ["Yb", "Co", "Ga", "O1", "O2"]
atoms_aniso_u11: YAkAAJAzAACQMwAA0GsAALDMAAA=
atoms_aniso_u22: YAkAAJAzAACQMwAA0GsAALDMAAA=
atoms_aniso_u33: QJwAAEAfAABAHwAA4C4AAMDaAAA=
atoms_aniso_u12: AAUAAKAZAACgGQAAsDYAAJBlAAA=
atoms_aniso_u13: AAAAAAAAAAAAAAAAAAAAAAAAAAA=
atoms_aniso_u23: AAAAAAAAAAAAAAAAAAAAAAAAAAA=
qdat:
AAAAAAAAAAAAEAAAAAAAAAAAAgAAAAAAAAACIEAQAgAAABAACAAAAACAAAAAAIEAAAQAAABJCBAAEAIAAAQAAAAAAAAAACgQgAQIAAEAAARAAQAACAAAAAAAAACQAQADSIAhAAQAAAAAADEQEEAEAAAAAAMSAhABAASAgA==


formula: Mg Se O10 H12
compound: <missing>
pub_title: Magnesium selenate hexahydrate, MgSeO4*6H2O
formula_title: MgSeO4*6H2O
a: 10.2240
b: 7.3700
c: 24.866
alpha: 90
beta: 98.410
gamma: 90
cell_volume: 1853.527
crystal_density: 1.973
atoms_occupancy: 0
atoms_aniso_label: ["Mg1", "Mg2", "Se", "O1", "O2", "O3", "O4", "OW5", "OW6", "OW7", "OW8", "OW9", "OW10"]
atoms_aniso_u11: MIgBAFByAQCYZgEAYJMCAKAcAgDw/gEAYHoCAIB3AwAQAgIA0PsBALARAgBAkAIAAKkBAA==
atoms_aniso_u22: sBcBACBhAQCwAwEAoJ8BAOBBAQBgmQEAENABAICDAQAAwgEA4HMBAMDtAQCQpAIAcGkDAA==
atoms_aniso_u33: gGoBADChAQBIpwEAADkDAGDFAgDwFwIA8DACAKDqAQBw0wIAwB8CANCRAgDgTgMAELECAA==
atoms_aniso_u12: AAAAANAHAADoCAAAEEAAAHCa//9QeAAAABkAAHCz///QOQAAsB0AADB1AAAA7f7/oCgAAA==
atoms_aniso_u13: 4BUAALDr//+g3f//oH/+/wC1//8gNQAAcK0AAGAo//+wTwAAgHAAAHBo///Q2/7/QB8AAA==
atoms_aniso_u23: AAAAAKDd//8A9v//UMn//1BGAACw0v//MPj//3AXAAAgVP//0FIAABAt//9gTgEAMMz+/w==
atoms_sites:
["Mg1", "Mg2", "Se", "O1", "O2", "O3", "O4", "OW5", "OW6", "OW7", "OW8", "OW9", "OW10", "H51", "H52", "H61", "H62", "H71", "H72", "H81", "H82", "H91", "H92", "H101", "H102"]

atoms_x:
AAAAAAAAAAAoIAgAmEQAACjQDAAoUQ4A4FsFACBQCACQCPn/aDX5/9D9BACQs/3/cGYLAADECQAgGAkAQD37/+AS9P/gyfv/oEv2/4CLCAAgQgIA4C4AAGAz+f9gJQwAIO4PAA==

atoms_y:
cAQiAICEHgCwHwMA6GQDAAgWDwDIOfn/iJoAAOACIgBoDy4AoJoVADA7KwDArCkAQNsbAKAZKACgYRwAQGQzAOAOLwDgzg8AQI8XAMBbKgCg4zAAoOkvAMDYKgCAMRcAgA0dAA==

atoms_z:
QEIPAICEHgDo8RYAABQUANgzFwCYKRYAeJUaACiDEwBgDBEAgB4RACBzIQC4tBoASCwdAFB9FABQ4RQAMDsSALC3EABgARIAMJ8SAPAZIwCwtSEA8LMaADCOGQDguBsAgGseAA==

atoms_u_iso:
cFwBAKiDAQBAZAEA0KoCAKAcAgCA5wEAwB8CAFBsAgAQNAIA4NcBAGBIAgAw/wIAMJsCAICpAwCAqQMAgKkDAICpAwCAqQMAgKkDAICpAwCAqQMAgKkDAICpAwCAqQMAgKkDAA==

qdat:
AAAAAAAAEAAAAAAAAkEASACEAEAAGCAQQQw1JA0CYYOFY4QmwIx+iLWsFss4HEfGwwTnOi91mxa+rE+JqkTsXeXns5/lam/7eodC93nV319e77ei8jtPmd3stvLlxHitPXO1ya7K5a66jy+To0a986qwwJNropaXGFUUHJ==


formula: Sr Mg P2 O7
compound: <missing>
pub_title: SrMgP2O7
formula_title: SrMgP2O7
a: 5.3046
b: 8.3053
c: 12.700
alpha: 90
beta: 90.502
gamma: 90
cell_volume: 559.493
crystal_density: 3.394
atoms_sites: ["Sr1", "Mg1", "P1", "P2", "O1", "O2", "O3", "O4", "O5", "O7", "O6"]
atoms_x: KCUNAABoKQCwhi0AQOspALC+LABwsSkAcGIAAHBkIQCQIDEA4LEYALCBMgA=
atoms_y: wLwUANAcCQDQLQIA8E0SANAPBwBwf/f/wPoDAGARBwAwAxMAUDIUADCtGAA=
atoms_z: uAIsAOBhNgDYuCgA0LofAKDAIQDQ3ycAYH4rAEDZLABgIhkAkPAfAACfJAA=
atoms_occupancy: 0
atoms_u_iso: QJwAAACWAADAdgAAwHYAADCnAAAQpAAAgO0AAPCgAABwrQAAcK0AABCkAAA=
atoms_aniso_label: ["Sr1", "Mg1", "P1", "P2", "O1", "O2", "O3", "O4", "O5", "O7", "O6"]
atoms_aniso_u11: kH4AAJCXAACQfgAAgHAAAPDrAAAAyAAAsJoAAHCtAAAwjgAAIIAAAFDDAAA=
atoms_aniso_u22: gKIAAFCRAADAdgAAYIYAAGCGAACAcAAAAPoAAEC1AADADAEAcMYAAFCRAAA=
atoms_aniso_u33: QLUAACCZAADwbgAAYG0AANCEAACwswAAQDIBAJB+AABgbQAAMMAAAACWAAA=
atoms_aniso_u12: 4AYAAFD7//9ABgAAcP7//4AlAADAEgAAQO3//7AEAAAw+P//ABkAAGDw//8=
atoms_aniso_u13: oPb//1Di//8AAAAAgAwAANAgAACwBAAA0KP//wAZAABAOAAAoPb//4Da//8=
atoms_aniso_u23: 0O7//yADAADg/P//sAQAAKD2//8AAAAA8AoAAKDd//8gAwAAUBQAAKD2//8=
qdat:
AAAAAAAAAAAAAAAgEAACBAAEBREBCAQAgwQIQAGEGMK0CRRGMNUyI0zMyUC2cQPkr22S7wXY6FrK6d+r11noi//l+vfa3nYw/6b/51/Zbv+br+7/5Le9793X9//R+vd+/fv//XXMq+ftffd+P8ub/f7m/f8j0v27c/7+8v==


formula: Co2 P2 O7
compound: <missing>
pub_title: Rerefinement of cobalt diphosphate against new intensity data
formula_title: Co2P2O7
a: 7.0022
b: 8.3634
c: 9.0114
alpha: 90
beta: 113.600
gamma: 90
cell_volume: 483.590
crystal_density: 4.008
atoms_sites: ["Co1", "Co2", "P1", "P2", "O1", "O2", "O3", "O4", "O5", "O6", "O7"]
atoms_x: WDAOAAivKgAQZjkA0HMgAGC4LQDAGRcAsEMHALCbOwBQJDYAcFkdAIDHIQA=
atoms_y: 0LA4AIjzGgCI3y4ASEIvAAinMgBAry4AuFUuACgFNwBARSUAcIA3AABnJQA=
atoms_z: oKQGALhWMgCARy4A+IscAMifJAAQiCEAOOMqAMjPNQDAgTEA2AMVAMhCGAA=
atoms_occupancy: 0
atoms_u_iso: 2HwAAGCGAACQdAAAaG8AAOCrAAAAlgAAUJEAAHCUAADgxAAAwI8AAJCXAAA=
atoms_aniso_label: ["Co1", "Co2", "P1", "P2", "O1", "O2", "O3", "O4", "O5", "O6", "O7"]
atoms_aniso_u11: KHgAADCEAAAoaQAAYGgAAAB9AAAgmQAAsIEAAJCXAAAQ1gAAAJYAAECcAAA=
atoms_aniso_u22: aH4AAJiAAAAYfgAAcHsAAADIAABgnwAA0J0AAPCgAACwmgAAMI4AAKCMAAA=
atoms_aniso_u33: 4H4AAFiYAADYdwAAIGcAAMCPAABgnwAAYJ8AALCBAABgAwEAsIEAAHCUAAA=
atoms_aniso_u12: KAUAADD9//8Q+v//SP7//7AEAACw6///UPv//6APAADg4///EPX//4AMAAA=
atoms_aniso_u13: +C8AAFhDAACQLgAAICYAAEAGAABgVAAAwEQAACA1AADQhAAAcDAAAAAyAAA=
atoms_aniso_u23: GAEAALAEAADw9v//0P3//xD1//+A8///cP7//wDn///A+f//UBQAAEDt//8=
qdat:
AAAAAAAAAAAAAAAAIBAAEAAAAoAIoBAACAAyAIACg4AQBMCACheGSMFiWAARWWBVKIFUaB0NKTzbR0JtjFds5JUeOXO8oMv3ULeGb1xuNL3Xau2t+9997o+6/4f1+Xd+t+/+t//ZvbN/9+f311398/rXj/937vv7f3Wf/3==


formula: Na1.792 Mg1.792 Fe1.208 P3 O12
compound: <missing>
pub_title: The alluaudite-like phosphate Na1.79Mg1.79Fe1.21(PO4)3
formula_title: Na1.79Mg1.79Fe1.21(PO4)3
a: 11.791
b: 12.489
c: 6.4191
alpha: 90
beta: 113.82
gamma: 90
cell_volume: 864.744
crystal_density: 3.358
atoms_sites: ["Na1", "Na2", "Mg1", "Mg2", "Fe2", "P1", "O11", "O12", "P2", "O21", "O22", "O23", "O24"]
atoms_x: gIQeAAAAAAAAAAAA0EANANBADQCAhB4AoPMbAGA8GACIfQ4AyOkWADDtCgAw8wkAWIsNAA==
atoms_y: AAAAAFBM//+gNhAACHsJAAh7CQDw2gwAwCkRAIA2CAAAuAYAqFsGAGjt///YGAoAIN8KAA==
atoms_z: AAAAAEBCDwBAQg8AINgHACDYBwBAQg8AIPcBAFA3DwDoNyYAYD8pAKCoJQDQ9BcA4MoxAA==
atoms_occupancy: AAk9AFBSMAAACT0AgCsYABDfJAAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AA==
atoms_u_iso: oG0BACDYAgCAiQAAkHkAAJB5AAAYWwAA8IcAADDAAADoXQAAAK8AAGC4AAAgmQAAsJoAAA==
atoms_aniso_label: ["Na1", "Na2", "Mg1", "Mg2", "Fe2", "P1", "O11", "O12", "P2", "O21", "O22", "O23", "O24"]
atoms_aniso_u11: sPgBACDFAQCAiQAAMHUAADB1AAAQWQAA4HkAAKCMAAAgZwAA8IcAAGDRAABAtQAAEKQAAA==
atoms_aniso_u22: wI8AAIATAwCQfgAA8G4AAPBuAACwTwAAoKUAAHCUAAAASwAAUJEAABByAACQfgAAgKIAAA==
atoms_aniso_u33: 8OsAAFDpAgDAqAAAwI8AAMCPAADgYAAAEHIAAFAOAQCwaAAAYAMBAPDrAACgjAAAgIkAAA==
atoms_aniso_u12: 4OP//wAAAAAAAAAA0AwAANAMAAAAAAAAsAQAAADn//8ABQAA0AcAAODj//9QFAAAkAEAAA==
atoms_aniso_u13: sLn//2AiAADQUgAAUDwAAFA8AABAHwAAECcAAKBBAADAKwAAwF0AAFBfAABAOAAAEEAAAA==
atoms_aniso_u23: 8PH//wAAAAAAAAAAIA0AACANAAAAAAAAECcAANA5AAAgAwAA4Pz//1AUAADQBwAAEPX//w==
qdat:
AAAAAAAAAAAABAAABAAEAAAAEiAgAAIAAEIGAAlECEIgABAygpIqAIiggDaUiCEcSEgwHNRuUMhIwuBnx5vhWLqPh3By+hwVbjkVgEuOdYd6JNaD0Bpear1LVmoArj+jLcDMmUfWkZjmDvj7NumQbmssWZASZi+bAYQYjV==


formula: (Zn Ga) P2 O8 N H4
compound: <missing>
pub_title: (NH4)(Zn,Ga)2(PO4)2, an open-framework structure
formula_title: (NH4)(Zn,Ga)2(PO4)2
a: 13.370
b: 13.190
c: 8.998
alpha: 90
beta: 100.46
gamma: 90
cell_volume: 1560.430
crystal_density: 2.921
atoms_aniso_label: ["Zn1", "Ga1", "Zn2", "Ga2", "P1", "P2", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "N"]
atoms_aniso_u11: kIMAAJCDAABgmgAAYJoAADCOAADwoAAAMDEDAHDAAQBAzgAAcK0AAACpAQAwoQEAYNEAACCsAQBASwEA
atoms_aniso_u22: eAQBAHgEAQCAtgAAgLYAALD+AACgpQAAoHQEAMAlAQCQRgEAIGEBANDWAwBA5wAAcBEBABCFAQAgjQIA
atoms_aniso_u33: SK0AAEitAADY7wAA2O8AAJDJAADw0gAA4CgBAMAGAgBgSAIA0FkDADAkAQDgkwQA8OUBAAATAQCwlAEA
atoms_aniso_u12: YA4AAGAOAADg9///4Pf//6Dd///g/P//0IQAANC8//9AHwAAsB0AAAC7/v9wmv//UPv//yA1AABA1P//
atoms_aniso_u13: qBEAAKgRAACQJAAAkCQAACADAABQLQAAUPv//zDyAADQo///sIEAAHB7AABggAEAIGcAALCBAAAwXAAA
atoms_aniso_u23: uM///7jP///w5///8Of//+BHAACgDwAAYMT+/0DU//9wmv//ALX//2AP///Alf//MCoAADD4//9AV///
atoms_sites:
["Zn1", "Ga1", "Zn2", "Ga2", "P1", "P2", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "N", "H1", "H2", "H3", "H4"]

atoms_x:
0JsWANCbFgAgZyMAIGcjALh9FQBgMSMA4NQnAKgDJwA49Q4AIMoaAKiCFgC4uCUAcDIcAOCJGADAzBMAwPERAKAsEAAgyhUA4KQWAA==

atoms_y:
6G4DAOhuAwDY7RYA2O0WADC/GgBoSQgAsLkYABBIGwDgMgYAoKwXALDmBAAAxA4AOLAIAMAh+/+gMg8AwG4SAKA+DQDAjA0AwHoQAA==

atoms_z:
OAwHADgMBwAg9QMAIPUDAMArBQDQlgIAgJMPANAl+/9Q3AAAMFYBANB2EwAQ0AEA4IYCAJD2BQAgcPL/wL3w/+CC8v+ge+7/4Gr2/w==

atoms_occupancy:
gIQeAICEHgCAhB4AgIQeAAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AA==

atoms_u_iso:
sL0AALC9AAAwwAAAMMAAAKjKAAD4sQAAMP8CAJCRAQAwiAEA0MkBAGAvAgAgQgIAMD0BAEBkAQBgywEAQA0DAEANAwBADQMAQA0DAA==

qdat:
AAAAAAAAAAAQAAABgIABAAECAQCEMCBBADCGAYLKGAEiKhMrhS8A6WxoaqE6PuGeTOk3eI+/Z7rfy1nf7z3i++v3vM+Ovdv/3h/7lxoL/blT+XleVvv9y3MI/ff+rdfep3m5fSrIqJ9j9iljIyCOkOLBgAYkxkAQAIAAEI==


formula: Ba2 Co Se2 O6 Cl2
compound: <missing>
pub_title: Barium cobalt chloride selenite, Ba2CoCl2(SeO3)2
formula_title: Ba2CoCl2(SeO3)2
a: 6.7635
b: 12.6454
c: 5.3866
alpha: 90
beta: 90
gamma: 90
cell_volume: 460.701
crystal_density: 4.746
atoms_sites: ["Ba", "Co", "Se", "O1", "O2", "Cl"]
atoms_x: WEASAAAAAACQjQ8A8DEGAIA+GQAgvRMA
atoms_y: YGwQAAAAAADobQQA8JUGAICxCgAgtPn/
atoms_z: gIQeAICEHgAAAAAAgJkOAAAAAACAhB4A
atoms_occupancy: 0
atoms_u_iso: mMYAADCnAADAqAAA8NIAAJAtAQCwFwEA
atoms_aniso_label: ["Ba", "Co", "Se", "O1", "O2", "Cl"]
atoms_aniso_u11: UKoAACDLAABguAAAMAsBACDLAAAQCAEA
atoms_aniso_u22: kJcAAEBqAABwYgAAUKoAAIA4AQAw8gAA
atoms_aniso_u33: ABMBADDAAADg3QAAwMEAAAB3AQDQTAEA
atoms_aniso_u12: wOr//3Dl///gFQAAMPj//0Ci///QIAAA
atoms_aniso_u13: AAAAAAAAAAAAAAAAgD4AAAAAAAAAAAAA
atoms_aniso_u23: AAAAAAAAAAAAAAAAUBQAAAAAAAAAAAAA
qdat:
AAAAAAAAAAAAAAAAEEAAAQCABAQAAJAkgQAQEEBCQIKAQqAQKKIiqoAUQgFipS1YS+Wg1kdEBdMiZz8VKtTz1MupaF2spMux/sfPvn+vV6hfj288/+e1+Lj13/P/e/vn3rv87n5q+38/f35/tv+Xe7t+zxv3/+//s33997==


formula: Mn Te2 O5
compound: <missing>
pub_title: Manganese tellurite, beta-MnTe2O5
formula_title: MnTe2O5
a: 7.3114
b: 10.9216
c: 6.1711
alpha: 90
beta: 90
gamma: 90
cell_volume: 492.776
crystal_density: 5.259
atoms_sites: ["Mn", "Te", "O1", "O2", "O3"]
atoms_x: AAAAAGj0BwAAAAAA8NsLAHD9FAA=
atoms_y: 0G0DALgFFQDgjBoACNcMAOB9GgA=
atoms_z: QEIPAKB+HQBAQg8AAD0TABCYGwA=
atoms_occupancy: 0
atoms_u_iso: EJoAAHiMAACwFwEA4PYAAIDUAAA=
atoms_aniso_label: ["Mn", "Te", "O1", "O2", "O3"]
atoms_aniso_u11: oKUAAHB2AABwKgEAsP4AAEC1AAA=
atoms_aniso_u22: wI8AALB8AACwswAA0LYAAMDzAAA=
atoms_aniso_u33: kJcAAHCyAACAagEAkC0BAIDUAAA=
atoms_aniso_u12: AAAAALj3//8AAAAAwOD//zCU//8=
atoms_aniso_u13: +BsAAOj+//9APv//QB8AAPDY//8=
atoms_aniso_u23: AAAAABDw//8AAAAAAJz//wAyAAA=
qdat:
AAAAAAAAAAAAAAAAAQAQAAAAQCAACIAAQAmAJAogAEgAoECRIAhSByNCQMqQ8HBCIYPJKpmovDYy3Q0/M1yjIeyl7/1C/d+HG5XbvXfN7jdkH/v/f8+c79JN/17zfvvu/d626f31/ffn6v3b++7/ea7U6v/u3137/327+f==


formula: Ca Mo5 O8
compound: <missing>
pub_title: CaMo5O8
formula_title: CaMo5O8
a: 7.550
b: 9.068
c: 9.983
alpha: 90
beta: 110.07
gamma: 90
cell_volume: 641.966
crystal_density: 6.702
atoms_sites: ["Ca", "Mo1", "Mo2", "Mo3", "Mo4", "Mo5", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8"]
atoms_x: 8CwQABhFJQAYYhcAKNIKAMCLMQAIBwAAoGAYABByAAAwMP//EHgYADDlMADwigwAIAYlACBzFwA=
atoms_y: wNUeAIjy+P/A8fj/SEf4/6jT9/+Ac/j/cHsAAMB/8v/wCgAAwIvw/2D/8P8w7vD/ULnx/yDq//8=
atoms_z: aCIgAFCIHQDYoykAqJoXADhREgAgyyMAkF8zAJAiOQDgcA4AUEABAPArBwCgPg0A0LYyAOBMFAA=
atoms_occupancy: 0
atoms_u_iso: 8KoAALgzAADYMQAAUDIAANgxAAC4LgAAwEQAAMBEAACQTAAAcEkAAIBXAABgVAAAsE8AAPBVAAA=
atoms_aniso_label: ["Ca", "Mo1", "Mo2", "Mo3", "Mo4", "Mo5", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8"]
atoms_aniso_u11: sJoAANA0AAAQMQAA8DIAAJg6AAAwNAAAwEQAAFBGAACQZQAAkDMAANBSAAAQWQAAcEkAALBoAAA=
atoms_aniso_u22: ILIAAOAuAADoMAAAoC0AAOgwAAAYKQAAAEsAAMBdAABgOwAAcEkAAKBaAABwYgAAEFkAAOBHAAA=
atoms_aniso_u33: gKIAANg2AAAAMgAAWDkAACArAAAQLAAAYCIAAEAfAADAXQAAUF8AADBcAAAQQAAA8DwAANBrAAA=
atoms_aniso_u12: UPv//6D7///AAwAACAIAAFgCAAAw/f//kBoAADARAADwCgAA0AcAAKD2///g/P//8CMAAGDw//8=
atoms_aniso_u13: 0CAAACASAACwDgAAqBYAADgTAABIDQAAYPD//yADAAAQQAAAcBcAAPAjAAAgHAAAIAMAAMBEAAA=
atoms_aniso_u23: EA4AAKAAAAAQBAAA+P3///j9///QAgAAIAMAAOAVAAAAGQAA4BUAAMDg//+Q6P//0AcAAIAMAAA=
qdat:
AAAAAAAAAAAAAABAgACAAAIQISAIAECGRAAEJGEACQmAaFYkUQrKBiJk2whiaFUspbCl0I1FHrK9Fuy0Oe3Ta++UW4z+9v7904da71/9nn5er22n+6//r/+X/63/+/f/++/9/33v37f1/73z+/279npvP//r18v1P/fc39==


formula: Hg Cl2 O6 N4
compound: <missing>
pub_title: Ammonium mercury(II) dichloride nitrate, (NH4)2HgCl2(NO3)2
formula_title: (NH4)2HgCl2(NO3)2
a: 15.5758
b: 5.4976
c: 11.2826
alpha: 90
beta: 90
gamma: 90
cell_volume: 966.124
crystal_density: 2.912
atoms_sites: ["Hg1", "Cl1", "Cl2", "O1", "O2", "O3", "O4", "N1", "N2", "N3", "N4"]
atoms_x: SF0KAOjhCAAQ0AsAIDgMAAB5EwCwIQEA4Pz//3AVEQCAuwAAgGUGAFCqGQA=
atoms_y: wMYtAMDGLQDAxi0AQEIPACA8AwCQUwMAQEIPAEBCDwBAQg8AQEIPAMDGLQA=
atoms_z: sJoPAOBTAwAA7hsAINUPAMCfDgAgQBMAUFsJAOAGDwAA6w8AIGkhACADGQA=
atoms_occupancy: 0
atoms_u_iso: gMQBAJByAgDQeAIAINgCANBfAgAgPAMAUNACAOClAQCQqgEA4FQCAKBOAgA=
atoms_aniso_label: ["Hg1", "Cl1", "Cl2", "O1", "O2", "O3", "O4", "N1", "N2", "N3", "N4"]
atoms_aniso_u11: EPMBAPAqAwAgbgMAwHABAJByAgBQbAIAIL8CACDFAQDgWgEAgCwDAICvAgA=
atoms_aniso_u22: SMUBACCNAgDgbQIAAPQBAHAkAgDgHAMAQAcEAOClAQDA1AEAoAMCAAD0AQA=
atoms_aniso_u33: KJUBABCeAQAAkAEAIDAFAHCIAgCAJgQA4KUBAKCGAQDA1AEAIMUBAMBRAgA=
atoms_aniso_u12: AAAAAAAAAAAAAAAAAAAAADDAAAAw+P//AAAAAAAAAAAAAAAAAAAAAAAAAAA=
atoms_aniso_u13: SOD//1CX//9A1P//EHIAAMASAADQBwAAwOD//xAnAABA7f//gMH//yCG//8=
atoms_aniso_u23: AAAAAAAAAAAAAAAAAAAAAGDw//9QvQEAAAAAAAAAAAAAAAAAAAAAAAAAAAA=
qdat:
AAAAAAAAAAAEAEAAIAECAQRIAQBMGRAgCqZAITaPIMJTeFLmoiSKkX7GRpuWsdx96puv3vu87XPe9pv9z+dP///fztzWn/q/Xv2+f3//5v/b69n2Vftd+9vd/3+2/9bbq/ym6/9+9/ttN70vS037N6lkrv3nb/mb8j7n+j==


formula: Sm5 Si3 O13
compound: <missing>
pub_title: Samarium orthosilicate oxyapatite, Sm5(SiO4)3O
formula_title: Sm5(SiO4)3O
a: 9.4959
b: 9.4959
c: 7.0361
alpha: 90
beta: 90
gamma: 120
cell_volume: 549.458
crystal_density: 6.311
atoms_sites: ["Sm1", "Sm2", "Si", "O1", "O2", "O3", "O4"]
atoms_x: 2K8OAFVYFABQpAEA8GkFABBIBwCQZh0AAAAAAA==
atoms_y: 4CAOAKuwKACQORgA0KIUAGBEJAAgRAoAAAAAAA==
atoms_z: QEIPADAHAABAQg8A8AsEAEBCDwBAQg8AQEIPAA==
atoms_occupancy: 0
atoms_u_iso: uFYAALCaAABgVAAAUNwAAEDnAADg3QAAwNoAAA==
atoms_aniso_label: ["Sm1", "Sm2", "Si", "O1", "O2", "O3", "O4"]
atoms_aniso_u11: cEkAABicAACwNgAAAPoAAIC7AADgqwAAYG0AAA==
atoms_aniso_u22: gFcAABicAABgOwAAAHcBAGBtAAAgTgAAYG0AAA==
atoms_aniso_u33: IGcAAJCXAAAggAAAoIwAAOClAQAgSAEAIMUBAA==
atoms_aniso_u12: OCwAACBOAADAEgAAYOoAACBOAABg8P//IDUAAA==
atoms_aniso_u13: AAAAAAAAAAAAAAAAEMP//wAAAAAAAAAAAAAAAA==
atoms_aniso_u23: AAAAAAAAAAAAAAAAQIn//wAAAAAAAAAAAAAAAA==
qdat:
AAAAAAAAAAAACAAAAAAEAAgAAECAAFAAICAABgQQAgAAQhEAMBAoAwCEgEJkRABmiMQLEgLQEGQUFHLFBqgvBAEUW9YRlwiEVaBOKh1hQ42UJnM5hZ9Fyu0qkWpnws4rxVj5K2VvfZ9qTtse7/TubZ/vavX+e5Vz6/bodU==


formula: Dy4 Si3 S12
compound: <missing>
pub_title: Dysprosium thiosilicate, Dy4(SiS4)3
formula_title: Dy4(SiS4)3
a: 9.813
b: 10.9387
c: 16.360
alpha: 90
beta: 102.86
gamma: 90
cell_volume: 1712.057
crystal_density: 4.341
atoms_occupancy: 0
atoms_sites:
["Dy1", "Dy2", "Dy3", "Dy4", "Si1", "Si2", "Si3", "S1", "S2", "S3", "S4", "S5", "S6", "S7", "S8", "S9", "S10", "S11", "S12"]

atoms_x:
CEElAHB9NQBIaiAAaJ0TAGiKDQDYwCoAaEQrALi6HgD4mBkAEJUtAIiyMwAwXyUAUIw3AAiRAgAQWBUA8JYoAOgxCQCQJCgAgCQuAA==

atoms_y:
+Aw8AEjMJwAI/xYA4HMuAFjbIQA47DUAKLsrAECVLwAwWAkAQAgNAFgaMwBYWy4A2KgzABCoGgCgVh0AKOMcAKC1LACwlwMA6CghAA==

atoms_z:
+KAHAICkAwCo/wcAeKMRAAArBwBgVzkAyD0OAOiOCwCQPAsAMEUIAEBuCwCozwAASL85AEC/BQDA9Q0AwJ87AJC4BwCoXTsA2HELAA==

atoms_u_iso:
UKoAACigAACIuAAAOMwAAPCgAADwoAAAAJYAACDLAACQsAAAsLMAALCaAADgqwAAENYAADDAAABQ3AAAIMsAALCzAAAQvQAAsLMAAA==

atoms_aniso_label:
["Dy1", "Dy2", "Dy3", "Dy4", "Si1", "Si2", "Si3", "S1", "S2", "S3", "S4", "S5", "S6", "S7", "S8", "S9", "S10", "S11", "S12"]

atoms_aniso_u11:
MKIAAIB/AAA4lQAAyLQAABCkAACQlwAAYIYAAJB+AAAQiwAAUMMAAJB+AACAogAAAJYAAGC4AADAwQAAwMEAAFCRAABAzgAAgLsAAA==

atoms_aniso_u22:
uJIAADifAAAgowAAyAkBAHCUAADAqAAAsJoAALD+AAAw2QAA8LkAAHCUAAAwpwAAQOcAAACWAACg8AAAoNcAAACWAABAnAAAEIsAAA==

atoms_aniso_u33:
+MUAAFi7AAD42QAAiK4AAECcAAAgmQAA0J0AAGDqAACgpQAA8KAAANC2AABguAAAkPsAACDkAACQyQAAsMwAAFDcAACQyQAAoNcAAA==

atoms_aniso_u12:
AA8AACgUAADACAAAwMf//wAZAAAAGQAAsAQAAFAUAABgCQAAIAMAAEAGAADQBwAAABkAABAOAACwNgAAMCoAAHAXAACwBAAAkOj//w==

atoms_aniso_u13:
kB8AAEAVAADw9v//MDkAAGAJAACADAAAABkAACA1AADwCgAAECcAAOAVAADQIAAAUBQAAOAVAACA8///sDYAADD4//+gKAAA4C4AAA==

atoms_aniso_u23:
aBUAAAgHAAD4+P//mOr//zD4//8Q9f//cBcAAFBGAAAg6v//QO3//xD1///AEgAAUBQAAGAiAAAwKgAAgPP//9Du//9A7f//sOv//w==

qdat:
AAAAAAAAAAAiAQEAIgBQQRgTAApEgUDUlB5AQFp5lEu7Zcu/N/9F+b3trv97e1/317/bfjdf6/fX3///79/9/+////f7fv////3/v/+31/7fv///3e/f//2/d/73//3/Z/794//NX5ds751ftFzWVgpa4BbChIgSAECAgB==


formula: Pb Cl4
compound: <missing>
pub_title: Lead(IV) chloride at 150 K Note: sample at T = 150 K
formula_title: PbCl4
a: 10.542
b: 5.359
c: 11.958
alpha: 90
beta: 115.83
gamma: 90
cell_volume: 608.067
crystal_density: 3.812
atoms_sites: ["Pb", "Cl1", "Cl2"]
atoms_x: wMYtALAZIgAguDEA
atoms_y: OLgPACBOAABAFB8A
atoms_z: AAAAAEAd+P9AHfj/
atoms_occupancy: 0
atoms_u_iso: gB8BAPCaAQCwrQEA
atoms_aniso_label: ["Pb", "Cl1", "Cl2"]
atoms_aniso_u11: MCQBADBWAQBw2QEA
atoms_aniso_u22: gB8BAIC1AQDgpQEA
atoms_aniso_u33: cPgAAHB1AQAgkwEA
atoms_aniso_u12: AAAAALC5//+Q6P//
atoms_aniso_u13: 8FUAALBPAAAgywAA
atoms_aniso_u23: AAAAAHDM///ARAAA
qdat:
AAAAAAAAAAAAAAAAAAAEAAkAAAIAAAAACAAQAAEwMAAiRAAABwAAGAAUIBMiAQJQQIRJFA1AFBgITBVCkwEEyGRZIPQQoEwlEtZMRRMXF/GGiFNlyIC8L/Ro9Na31+M2MaJ9lhDOGz0sR6ib4leXQLB1Ks0pKtivY2ePxZ==


formula: Rb2 Al2 B2 O7
compound: <missing>
pub_title: Rb2Al2B2O7
formula_title: Rb2Al2B2O7
a: 8.901
b: 7.5390
c: 11.905
alpha: 90
beta: 103.970
gamma: 90
cell_volume: 775.252
crystal_density: 3.072
atoms_sites: ["Rb1", "Rb2", "Al1", "Al2", "B1", "B2", "O1", "O2", "O3", "O4", "O5", "O6", "O7"]
atoms_x: uA4CAADaGwDoGOv/eLH0/wB5CQDweRMA0KDz/0At7f8AZAAA8EMcAMBCEQDQew4AoP/x/w==
atoms_y: +IsIAPDb9/8wafj/cBcFABBUBQDQ//j/QIwLAPA2AQDwewIAoHD0/0D6AQDg7AoA0NcgAA==
atoms_z: ED0mADglNADY9yUAYNk0AKCgNwAgYyIAkCAYAKD7LADAnDQAQPYjACBJHgDwmjMAMEQdAA==
atoms_occupancy: 0
atoms_u_iso: 4EYBANhOAQDQnQAAkLAAAGDRAACQyQAAABMBAHAqAQBAGQEAsDABACBhAQDwBAEAEIUBAA==
atoms_aniso_label: ["Rb1", "Rb2", "Al1", "Al2", "B1", "B2", "O1", "O2", "O3", "O4", "O5", "O6", "O7"]
atoms_aniso_u11: cHUBAFA7AQBwrQAAsLMAAKC+AACQFAEAECEBAJAUAQBguAAAUNwAAPDlAQBAZAEA4CgBAA==
atoms_aniso_u22: 0EwBAJCRAQDQnQAAoL4AAFCqAACA1AAA8OsAAOAoAQAQUwEAgFEBAJAtAQCw/gAA8BcCAA==
atoms_aniso_u33: 0O0AALAcAQDQhAAA0J0AADALAQAAfQAAQEsBABAhAQCQRgEAYE4BAGBOAQBQqgAA0DMBAA==
atoms_aniso_u12: kB8AAGC+//9ABgAAsOv//4Dz///g/P//YDsAANAgAABwzP//gNr//1BfAABwgf//cEkAAA==
atoms_aniso_u13: mAMAAEhEAAAAGQAAECcAALA2AACgQQAAYIYAAHD+//8ASwAAIBwAAMDaAADQOQAAwBIAAA==
atoms_aniso_u23: KOf///D7//8gAwAAMPj//7Dr//9A1P//cEkAALBu//9Q4v//IOr//yCZAAAA5///YCj//w==
qdat:
AAAAAAAAAAAAQAAACAUAABBAYAABgQMQESAQJABoAgjaInEIcVUEKcIfZU9AXlbCro64X6tXPHnrL/KxqVevf797Wvn//mv8fvvf/3F7P+96+2+////7759/1/97fv//3/1/f///v/o/3/++f3+91//vP7f+X9+XX3993R==


formula: K4 Cr N2 O10
compound: <missing>
pub_title: K4(CrO4)(NO3)2, the first chromate(VI)-nitrate
formula_title: K4(CrO4)(NO3)2
a: 10.143
b: 11.149
c: 9.837
alpha: 90
beta: 106.31
gamma: 90
cell_volume: 1067.643
crystal_density: 2.466
atoms_x: qOwVAIAtFgDYzAUA0CAFANh1DACwZAkA4PEeAMCGCQA4+wgAEEEJAGBBGADgeyEAgLsZAPivFgB4tQkA+JUIAAiuCAA=
atoms_y: wH4HAMClNQAwMSYAgMMHAIDbNQAItBYAyO0mADicHACIwRAA2LsWACDaIwAwVCsA4JoHAFCSNgBYQi4AqNY1ABjsPAA=
atoms_z: YAwCAMieIADgaCUA8BwlAHhlMQDAtDAAcN4uAEicNAAoZzQAMNkoADBnLAAgZSoAkAQlADC6MwAgVTUAmM0mAMh1NQA=
atoms_occupancy: 0
atoms_u_iso: 8JABABDLAQAAkAEAiKgBABANAQBgTgEA0JcBAIDOAQBwwAEAsMYBALD/BADAyAMAwBkDAJCkAgCwxgEAIHoBAOBzAQA=
atoms_aniso_u11: oCIBAGCAAQBAEwIAQHcCACAWAQAAqQEAAJABAKBOAgAQGwIAQCwCANCRAgDgjQUAIOsDAFD1AAAQmAIAsK0BALDGAQA=
atoms_aniso_u22: YMsBAMAGAgCAOAEAACwBAFAOAQDAJQEA8LMBAKA7AQAQUwEAANsBAMA5BgBgdAMAQNsCAPDyAwDQMwEA0JcBABA6AQA=
atoms_aniso_u33: 0LABAODwAQAwiAEAkEYBAMD9AACQLQEAkJEBABDQAQBw2QEA4IwBAABZBgCwPQMA0C0CACDYAgBwpwEA0BoBAPBoAQA=
atoms_aniso_u12: UOL//8D5//+w0v//IDUAAIgJAACQz///ADIAADDG//8gNQAAMPj//xBM/v/QGgEAQFf//1Di//9A7f//UPv//2AiAAA=
atoms_aniso_u13: MEMAAICiAACAuwAAYG0AAFBBAADQhAAA8IcAAOB5AACwmgAAEO8AANB+AQCgsgIAcEkAAPA8AAAgywAAkEwAAPCHAAA=
atoms_aniso_u23: gPP//zARAABA7f//IAMAAAgCAACw6///0AcAAFCX///gYAAA8AoAALCA/P8gFgEA0Lz//8Cu//8QQAAAAOf//yDR//8=
atoms_sites:
["K1", "K2", "K3", "K4", "Cr", "N1", "N2", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10"]

atoms_aniso_label:
["K1", "K2", "K3", "K4", "Cr", "N1", "N2", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10"]

qdat:
AAAAAAAAAABAAAMAAABBAHQEQCAQFgYAKSElQMRSAERqooUxcMQu2LeaZ/WlfJ+Ce2e9g6/+7T+/179/tvTv96u+3N/n91//v/3+////v7v/7/+//e////T+fXv///f//99//61r/34///3/vta9v6/3p7PX9Xf35Ll7ZU==


formula: Ti Cl4
compound: <missing>
pub_title: Titanium(IV) chloride at 150 K Note: Sample at T = 150 K
formula_title: TiCl4
a: 9.670
b: 6.4737
c: 9.682
alpha: 90
beta: 102.168
gamma: 90
cell_volume: 592.483
crystal_density: 2.127
atoms_sites: ["Ti", "Cl2", "Cl3", "Cl4", "Cl5"]
atoms_x: AFAPANiUCwDwtQQAcLkSAGhVGgA=
atoms_y: cK4EABDxFwAQ6/r/YCL7/4iRBAA=
atoms_z: ICMIAPCrBACo8QsACEb9/0DaEgA=
atoms_occupancy: 0
atoms_u_iso: cCoBAKDqAQCQ9QEAoOoBAMDUAQA=
atoms_aniso_label: ["Ti", "Cl2", "Cl3", "Cl4", "Cl5"]
atoms_aniso_u11: QDIBANBGAgAQngEAcCQCABCeAQA=
atoms_aniso_u22: UA4BAMA+AQBwJAIA0PsBAHDyAQA=
atoms_aniso_u33: 4EEBABA0AgCAMgIA0LABAMC7AQA=
atoms_aniso_u12: kAEAAMBJAADQo///0DQAAEgDAAA=
atoms_aniso_u13: uEcAAEBqAAAwjgAAEIsAAJDo//8=
atoms_aniso_u23: kAEAABg4AAAIXAAAmJX//9Dp//8=
qdat:
AAAAAAAAAAAgAAAAAAACAAQCAABMAAAIIQUADggQEAgCIAMZAJEEAMZNgDBEDwFBSLMgfihEaPKAzPsUcjbBp4HfHgxv7xsn8ztHrwa/DG//eTjL2N387+/9h//Vf65n/tu/3vzJPf5+zd8y+339/eZ2/JHn9qvpuuX516==


formula: Ce As O4
compound: Synthetic
pub_title: Cerium arsenate, CeAsO4
formula_title: <missing>
a: 6.9750
b: 7.1770
c: 6.759
alpha: 90
beta: 104.690
gamma: 90
cell_volume: 327.293
crystal_density: 5.663
atoms_sites: ["Ce", "As", "O1", "O2", "O3", "O4"]
atoms_x: 6F8NAEj8CwCgswYAMPIAABD/DgAAPhcA
atoms_y: kGEJAGjyCQDgyRQAMJwGAIDB//8wQA0A
atoms_z: WHsYAMgaNgBQFAAAYCYpALA3BABgZi8A
atoms_occupancy: 0
atoms_u_iso: MD0BANAzAQCQkQEAAJABAGCAAQBwjgEA
atoms_aniso_label: ["Ce", "As", "O1", "O2", "O3", "O4"]
atoms_aniso_u11: MD0BAPA2AQCAtQEAYGcBAGDkAQBAlgEA
atoms_aniso_u22: sDABAEAyAQBgZwEAQJYBAEAZAQDgpQEA
atoms_aniso_u33: QEsBANAzAQDA1AEAQJYBAAB3AQBAlgEA
atoms_aniso_u12: AAAAACADAAAAAAAAYPD//wAAAACgDwAA
atoms_aniso_u13: sE8AANBSAACAuwAA4C4AAGBtAADgqwAA
atoms_aniso_u23: QPf//5ABAACAwf//wOD//0AfAABAHwAA
qdat:
AAAAAAAAAAAAAAAEAAAAAKAAAAAAAwAggoIQAAIgAiCIAAGATA4AgCRgwBaAMEhFkycACPYQAAiGrixuJIXIISXMZ8R4Jwone7EXFUaokbFqe7TJdau379aM/rP7fievehvWfyX5r5//91/u/969vbH2vfUfyP7/bv3l3/==


formula: Na2 Se O3
compound: <missing>
pub_title: Sodium selenite, Na2SeO3
formula_title: Na2SeO3
a: 4.9089
b: 10.0072
c: 6.8535
alpha: 90
beta: 91.11
gamma: 90
cell_volume: 336.611
crystal_density: 3.412
atoms_sites: ["Na1", "Na2", "Se", "O1", "O2", "O3"]
atoms_x: cNYOANAlLQD4Xy8AUOEtAACnKwBgGkQA
atoms_y: 4JctAFC+NwAw4zcA8H5AAABXMABA6DYA
atoms_z: 8FUZAODUJwDIcgsA0NoTALCAFQBQCgoA
atoms_occupancy: 0
atoms_u_iso: 4CgBALAXAQCYsgAAsP4AABAIAQAQCAEA
atoms_aniso_label: ["Na1", "Na2", "Se", "O1", "O2", "O3"]
atoms_aniso_u11: 8B0BAHD4AAAArwAAsMwAAOAoAQCABgEA
atoms_aniso_u22: 4A8BAEDnAABwlAAAYOoAACDLAAAA+gAA
atoms_aniso_u33: 0EwBANBlAQCA1AAA0EwBAOAoAQCAHwEA
atoms_aniso_u12: 4OP//7Dr///QBwAAAAAAAGAJAACQGgAA
atoms_aniso_u13: 0DkAADARAABYJQAA8DwAALA2AACQTAAA
atoms_aniso_u23: EEAAAMDH///g/P//AOf//4AlAAAAGQAA
qdat:
AAAAAAAAAAAAAAAAAAEAAoABABAAEBEAIBAgAiggAhChkABkAkYBggksMgCBCThA3QqsWLEMYwVRsboYdEfGJaoTFfuzMGm8HrzzZVLMj73cqw3Utv/n49T3+au58mf1/3P/312nzXv2uz++qe+20+9/z7P7/3X1dy/td+==


formula: K Cr Cl O3
compound: <missing>
pub_title: Redetermination of potassium chlorochromate, KCrO3Cl
formula_title: KCrO3Cl
a: 7.838
b: 7.4930
c: 7.812
alpha: 90
beta: 91.40
gamma: 90
cell_volume: 458.663
crystal_density: 2.528
atoms_sites: ["K", "Cr", "Cl", "O1", "O2", "O3"]
atoms_x: WGMSAKg8EQCI6AIA4KUaANAYEgDA3hAA
atoms_y: 6AknAPiWBwDQRhEAIAcQAIBwAADArv//
atoms_z: wAU1ALBlNQAAdjQAoFs2ABAGKwBgSAIA
atoms_occupancy: 0
atoms_u_iso: qDICAKiDAQBgegIAcOwCABDKAgBQAgMA
atoms_aniso_label: ["K", "Cr", "Cl", "O1", "O2", "O3"]
atoms_aniso_u11: EPwCAACQAQDQ4gEAYBYCANAOAwAgPAMA
atoms_aniso_u22: cNkBAMBwAQAAigIAcD0CAADuAgDwKgMA
atoms_aniso_u33: cMABAMCJAQAw/wIAQGsEAEBeAgCwpwIA
atoms_aniso_u12: UOL//zD9///QawAA4H///6ClAADwuQAA
atoms_aniso_u13: sNL//4ACAABw/v//ALX//2Dw//8AlgAA
atoms_aniso_u23: 0PP//9j////A+f//YNf//+Ab//+wMAEA
qdat:
AAAAAAAAAAAAAIAAAAAIAAACAADAgAYgAJAAAAKARQEAhgQEBjDiAGAXZcwxMAwEoAHB9XYQGexASNjS+PJjhYuZ0bFz8kjxbvn/nH9bkvffY99/nvP175/v/3/F/jH7v/L/jv/t3/+v////69+9/79//dWvz/+7/9+b+/==


formula: Na Co P2 O7 H
compound: <missing>
pub_title: Sodium cobalt(II) hydrogendiphosphate, NaCoHP2O7
formula_title: NaCoHP2O7
a: 6.5629
b: 6.6430
c: 6.5309
alpha: 112.600
beta: 87.935
gamma: 96.140
cell_volume: 261.354
crystal_density: 3.264
atoms_sites: ["Na", "Na*", "Co", "P1", "P2", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "H"]
atoms_x: YCwoACBqJQCI4ggAoF0HACA7JwAggDIAsPMGALBWHABg1AwAUFQ4AFBwKwAg8yMAwP0PAA==
atoms_y: oFkuAMAwLQCYwxcA8Lw0ADAZEQAAPxsAANwFABDiFwAg9SsAsJ8tABBhBwCAwwcAgJsvAA==
atoms_z: wG4SACB9DQCwSBEAwD8KANB1DwDgJxYAADcUAPCEDQDA3hAAEPwCAIDUAABwIxcAIDsYAA==
atoms_occupancy: QKwnAMBcFQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AAAJPQAACT0AAAk9AA==
atoms_u_iso: IHoBAGBnAQBgiwAA+HoAABhvAACwmgAAwMEAACDLAAAAyAAAQLUAAHCtAABwrQAAQA0DAA==
atoms_aniso_label: ["Na", "Na'", "Co", "P1", "P2", "O1", "O2", "O3", "O4", "O5", "O6", "O7"]
atoms_aniso_u11: QJYBAIA4AQA4iwAAgIkAADB1AAAwjgAAIP0AACCZAACgIgEAgKIAAGC4AACg1wAA
atoms_aniso_u22: IP0AAJDiAABwjwAAAH0AAPBuAAAgmQAAUJEAABDWAADQnQAAUPUAAMCoAACQsAAA
atoms_aniso_u33: YOQBAAD0AQDgbwAAwF0AAMBdAAAAfQAAYJ8AALD+AADQnQAAUHgAAGBtAADgkgAA
atoms_aniso_u12: EFkAAPAKAAAIBwAA8A8AAIAMAADg4///ECcAAGAiAADgFQAAsAQAAIDz///Q7v//
atoms_aniso_u13: wNoAAIC7AABY/f//oAUAAEgDAACwBAAAQDgAALAEAADwv///gPP//zAqAACQ6P//
atoms_aniso_u23: UJEAAAB9AACwGAAAsB0AAJAaAADAEgAAQB8AAABkAACAPgAAsDYAALAEAACAVwAA
qdat:
AAAAAAAAAAAAAAAAgYAAAAACCAAACAAAQBKACBIIAAAA4AAGwIAMSACFEGAELJAJQADFSGBUsQgRCqDFrQRCBB5DvRHBFJHFeBCOTa86XFHKo5DjY/J+Sj0gSUn9SrBta+412bdcz3rtjNp77t6d2Uuthv9ef8/V3v0b33==


formula: Na3 Cr2 As3 O12
compound: <missing>
pub_title: Na3Cr2(AsO4)3: trisodium dichromium(III) triarsenate Note: garnet structure
formula_title: Na3Cr2(AsO4)3
a: 12.188
b: 12.188
c: 12.188
alpha: 90
beta: 90
gamma: 90
cell_volume: 1810.495
crystal_density: 4.327
atoms_sites: ["Na", "Cr", "As", "O"]
atoms_x: IKEHAEBCDwBg4xYA+JYRAA==
atoms_y: AAAAAEBCDwAAAAAAkAL6/w==
atoms_z: QEIPAEBCDwBAQg8AWCcSAA==
atoms_occupancy: 0
atoms_u_iso: AK8AACA1AAD4NAAAAGQAAA==
atoms_aniso_label: ["Na", "Cr", "As", "O"]
atoms_aniso_u11: AGQAACA1AADQOQAAwHYAAA==
atoms_aniso_u22: gNQAACA1AAAAMgAA4EcAAA==
atoms_aniso_u33: gNQAACA1AAAAMgAA8G4AAA==
atoms_aniso_u12: AAAAACADAAAAAAAAAOf//w==
atoms_aniso_u13: AAAAACADAAAAAAAAkBoAAA==
atoms_aniso_u23: MBEAACADAAAAAAAAIAMAAA==
qdat:
AAAAAAAAAAAAAAAAAAAAAgAAIAAAAAAAQAIAAAIAIAQBAAAgCAAAAgICAAIECAgQIAACCBBBBBABBABCCEAIQghCEAQCEIQgEQAERCIRAQiAgAiIgIAJAAEiBEAIAAIAAAIAAAAAAAAkAAAAAAAAAAAAAAAAAAAAAAAAAA==


