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crystal_0.cif

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+# generated using pymatgen
+data_Rb3ZnSeO8
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   5.65688614
+_cell_length_b   6.59449958
+_cell_length_c   7.94430687
+_cell_angle_alpha   78.77062662
+_cell_angle_beta   70.13742678
+_cell_angle_gamma   64.89982159
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   Rb3ZnSeO8
+_chemical_formula_sum   'Rb3 Zn1 Se1 O8'
+_cell_volume   251.95999892
+_cell_formula_units_Z   1
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  Rb  Rb0  1  0.13486277  0.29352561  0.14654630  1
+  Rb  Rb1  1  0.91228551  0.77454412  0.83950877  1
+  Rb  Rb2  1  0.48367527  0.18430577  0.54930961  1
+  Se  Se3  1  0.08352565  0.78679550  0.27994090  1
+  Zn  Zn4  1  0.69574130  0.41228369  0.72194833  1
+  O  O5  1  0.70613503  0.25027990  0.01944926  1
+  O  O6  1  0.18931009  0.74900109  0.07718036  1
+  O  O7  1  0.56890833  0.55128205  0.78459942  1
+  O  O8  1  0.97637349  0.14229269  0.58332753  1
+  O  O9  1  0.29846302  0.69971764  0.38430333  1
+  O  O10  1  0.78247857  0.84846926  0.35645080  1
+  O  O11  1  0.67705250  0.26798716  0.36549574  1
+  O  O12  1  0.49118862  0.03951545  0.89193952  1

crystal_1.cif

@@ -0,0 +1,40 @@
+# generated using pymatgen
+data_Li5Si8Os
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   3.67180295
+_cell_length_b   4.87444064
+_cell_length_c   11.90686737
+_cell_angle_alpha   89.59490510
+_cell_angle_beta   89.70896642
+_cell_angle_gamma   115.54971421
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   Li5Si8Os
+_chemical_formula_sum   'Li5 Si8 Os1'
+_cell_volume   192.25670547
+_cell_formula_units_Z   1
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  Li  Li0  1  0.68737686  0.95798856  0.37465486  1
+  Li  Li1  1  0.63897979  0.94319797  0.77501756  1
+  Li  Li2  1  0.32407519  0.31317413  0.71420538  1
+  Li  Li3  1  0.03750435  0.71680713  0.24817643  1
+  Li  Li4  1  0.97873420  0.66555071  0.99763834  1
+  Si  Si5  1  0.35723361  0.33238521  0.33550692  1
+  Si  Si6  1  0.00984359  0.61270130  0.77140224  1
+  Si  Si7  1  0.69747555  0.00375044  0.17378746  1
+  Si  Si8  1  0.28587881  0.23138204  0.53630126  1
+  Si  Si9  1  0.03602113  0.62894744  0.49349964  1
+  Si  Si10  1  0.61767161  0.93505484  0.95593911  1
+  Si  Si11  1  0.69389063  0.00837258  0.58545232  1
+  Os  Os12  1  0.28876308  0.30252939  0.91048169  1
+  Si  Si13  1  0.34655181  0.34815827  0.12793693  1

crystal_10.cif

@@ -0,0 +1,32 @@
+# generated using pymatgen
+data_LuSiRh
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   3.86174825
+_cell_length_b   3.83695332
+_cell_length_c   6.36124671
+_cell_angle_alpha   90.14983166
+_cell_angle_beta   90.09148059
+_cell_angle_gamma   90.70861008
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   LuSiRh
+_chemical_formula_sum   'Lu2 Si2 Rh2'
+_cell_volume   94.24914886
+_cell_formula_units_Z   2
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  Lu  Lu0  1  0.67555362  0.25261450  0.10719573  1
+  Lu  Lu1  1  0.68198395  0.76466131  0.56625724  1
+  Si  Si2  1  0.16363278  0.26128927  0.43435085  1
+  Si  Si3  1  0.16435209  0.74910158  0.89910215  1
+  Rh  Rh4  1  0.16184637  0.75408530  0.24024293  1
+  Rh  Rh5  1  0.15263125  0.21824801  0.75285113  1

crystal_100.cif

@@ -0,0 +1,38 @@
+# generated using pymatgen
+data_CaMgSi4
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   3.98179818
+_cell_length_b   4.05229727
+_cell_length_c   11.94797950
+_cell_angle_alpha   99.82968569
+_cell_angle_beta   99.65197011
+_cell_angle_gamma   90.22848362
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   CaMgSi4
+_chemical_formula_sum   'Ca2 Mg2 Si8'
+_cell_volume   187.16110248
+_cell_formula_units_Z   2
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  Ca  Ca0  1  0.99226654  0.69746649  0.14315996  1
+  Ca  Ca1  1  0.16966674  0.76947230  0.47549742  1
+  Mg  Mg2  1  0.70649093  0.37405795  0.55845815  1
+  Mg  Mg3  1  0.40769368  0.56146455  0.86396480  1
+  Si  Si4  1  0.81084383  0.82488573  0.75537109  1
+  Si  Si5  1  0.11618280  0.18331914  0.31129542  1
+  Si  Si6  1  0.55654001  0.17360567  0.22020677  1
+  Si  Si7  1  0.29375067  0.05755127  0.69065297  1
+  Si  Si8  1  0.46807584  0.23688401  0.95590353  1
+  Si  Si9  1  0.90726757  0.37110114  0.79496837  1
+  Si  Si10  1  0.95886010  0.04067748  0.94597650  1
+  Si  Si11  1  0.61236131  0.70951426  0.28454489  1

crystal_1000.cif

@@ -0,0 +1,44 @@
+# generated using pymatgen
+data_Dy5Sb4
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   6.19662620
+_cell_length_b   8.99577740
+_cell_length_c   8.97978057
+_cell_angle_alpha   119.84907212
+_cell_angle_beta   90.63998172
+_cell_angle_gamma   90.06058458
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   Dy5Sb4
+_chemical_formula_sum   'Dy10 Sb8'
+_cell_volume   434.11931891
+_cell_formula_units_Z   2
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  Dy  Dy0  1  0.37098417  0.05669834  0.05854330  1
+  Dy  Dy1  1  0.88480061  0.59653139  0.06447787  1
+  Dy  Dy2  1  0.34956685  0.14982606  0.53651017  1
+  Dy  Dy3  1  0.89045227  0.13551998  0.36960110  1
+  Dy  Dy4  1  0.37376347  0.58792555  0.81555766  1
+  Dy  Dy5  1  0.91029984  0.60371864  0.72289723  1
+  Dy  Dy6  1  0.12379731  0.79049933  0.42882895  1
+  Dy  Dy7  1  0.66959417  0.69723594  0.42410365  1
+  Dy  Dy8  1  0.09512395  0.21147010  0.96375930  1
+  Dy  Dy9  1  0.63237315  0.13740444  0.83525681  1
+  Sb  Sb10  1  0.17506438  0.89935005  0.16766955  1
+  Sb  Sb11  1  0.65250462  0.85888338  0.16649319  1
+  Sb  Sb12  1  0.17531553  0.43014622  0.29496330  1
+  Sb  Sb13  1  0.67316329  0.34109038  0.18115805  1
+  Sb  Sb14  1  0.17093477  0.90062344  0.68544310  1
+  Sb  Sb15  1  0.66099167  0.87330604  0.71020496  1
+  Sb  Sb16  1  0.34337193  0.45023465  0.88390756  1
+  Sb  Sb17  1  0.84789795  0.27953598  0.69062424  1

crystal_1001.cif

@@ -0,0 +1,32 @@
+# generated using pymatgen
+data_SmInGa
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   3.84229676
+_cell_length_b   4.65969896
+_cell_length_c   6.84296267
+_cell_angle_alpha   90.52485911
+_cell_angle_beta   90.44860190
+_cell_angle_gamma   90.68839478
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   SmInGa
+_chemical_formula_sum   'Sm2 In2 Ga2'
+_cell_volume   122.49819083
+_cell_formula_units_Z   2
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  Sm  Sm0  1  0.74435663  0.26951814  0.78764737  1
+  Sm  Sm1  1  0.24103084  0.72153842  0.50903547  1
+  Ga  Ga2  1  0.75346553  0.23810874  0.46182680  1
+  Ga  Ga3  1  0.76145238  0.75157946  0.17889589  1
+  In  In4  1  0.24468997  0.23967226  0.16714869  1
+  In  In5  1  0.25500464  0.77958298  0.89544576  1

crystal_1002.cif

@@ -0,0 +1,38 @@
+# generated using pymatgen
+data_MgOF
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   3.25362270
+_cell_length_b   6.01179906
+_cell_length_c   6.70512190
+_cell_angle_alpha   90.67192817
+_cell_angle_beta   89.54912090
+_cell_angle_gamma   91.09173665
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   MgOF
+_chemical_formula_sum   'Mg4 O4 F4'
+_cell_volume   131.11636876
+_cell_formula_units_Z   4
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  Mg  Mg0  1  0.27325431  0.82920867  0.69676912  1
+  Mg  Mg1  1  0.28633910  0.39818931  0.20631425  1
+  Mg  Mg2  1  0.78644800  0.91560441  0.32610396  1
+  Mg  Mg3  1  0.76173186  0.21019493  0.83248532  1
+  O  O4  1  0.24183945  0.09153604  0.36781290  1
+  O  O5  1  0.22502060  0.65669894  0.36503536  1
+  O  O6  1  0.23351753  0.53399551  0.89642739  1
+  O  O7  1  0.22767715  0.04620612  0.86602962  1
+  F  F8  1  0.74549758  0.78458202  0.09263287  1
+  F  F9  1  0.72793239  0.27329537  0.11691741  1
+  F  F10  1  0.74455893  0.88788331  0.63078374  1
+  F  F11  1  0.74618304  0.37260547  0.60268807  1

crystal_1003.cif

@@ -0,0 +1,38 @@
+# generated using pymatgen
+data_SiRh2
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   5.17790928
+_cell_length_b   5.65737113
+_cell_length_c   6.35242923
+_cell_angle_alpha   90.94172847
+_cell_angle_beta   89.83535925
+_cell_angle_gamma   90.54997116
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   SiRh2
+_chemical_formula_sum   'Si4 Rh8'
+_cell_volume   186.04956880
+_cell_formula_units_Z   4
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  Si  Si0  1  0.92613983  0.38807210  0.78764856  1
+  Si  Si1  1  0.35030773  0.83988863  0.75880396  1
+  Si  Si2  1  0.82424569  0.86822289  0.22857174  1
+  Si  Si3  1  0.62901062  0.43433303  0.20459437  1
+  Rh  Rh4  1  0.17301971  0.57983196  0.12683554  1
+  Rh  Rh5  1  0.17743570  0.08719326  0.02011003  1
+  Rh  Rh6  1  0.62986267  0.09570480  0.91244352  1
+  Rh  Rh7  1  0.66302347  0.56246698  0.53996402  1
+  Rh  Rh8  1  0.40755370  0.32516050  0.70641369  1
+  Rh  Rh9  1  0.85791260  0.74683112  0.83823967  1
+  Rh  Rh10  1  0.37779883  0.87915540  0.38569194  1
+  Rh  Rh11  1  0.98368949  0.19313921  0.49068293  1

crystal_1004.cif

@@ -0,0 +1,30 @@
+# generated using pymatgen
+data_Ga2NiPd
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   4.30160646
+_cell_length_b   4.33741362
+_cell_length_c   4.30169159
+_cell_angle_alpha   60.15460978
+_cell_angle_beta   60.27703171
+_cell_angle_gamma   60.59568016
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   Ga2NiPd
+_chemical_formula_sum   'Ga2 Ni1 Pd1'
+_cell_volume   57.19047687
+_cell_formula_units_Z   1
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  Ga  Ga0  1  0.85671580  0.37403169  0.88338685  1
+  Ga  Ga1  1  0.13434869  0.63238645  0.12731135  1
+  Pd  Pd2  1  0.38011268  0.86765081  0.36821011  1
+  Ni  Ni3  1  0.62882280  0.12593104  0.62109172  1

crystal_1005.cif

@@ -0,0 +1,44 @@
+# generated using pymatgen
+data_V3Fe(O2F5)2
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   4.89210246
+_cell_length_b   5.10527173
+_cell_length_c   8.44505927
+_cell_angle_alpha   94.85685313
+_cell_angle_beta   89.87901429
+_cell_angle_gamma   91.55610225
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   V3Fe(O2F5)2
+_chemical_formula_sum   'V3 Fe1 O4 F10'
+_cell_volume   210.08483269
+_cell_formula_units_Z   1
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  V  V0  1  0.82304621  0.13162774  0.81435436  1
+  V  V1  1  0.35445845  0.54651952  0.88469541  1
+  V  V2  1  0.87274027  0.12884043  0.42528754  1
+  Fe  Fe3  1  0.26889765  0.53762305  0.54460037  1
+  O  O4  1  0.51324999  0.35752174  0.36413372  1
+  O  O5  1  0.83289999  0.65426385  0.51851851  1
+  O  O6  1  0.26549453  0.02078592  0.36505750  1
+  O  O7  1  0.80117619  0.84719050  0.75655365  1
+  F  F8  1  0.87004876  0.92940772  0.21517222  1
+  F  F9  1  0.13779154  0.14330588  0.93750417  1
+  F  F10  1  0.31417701  0.69769263  0.64262450  1
+  F  F11  1  0.66692269  0.21097563  0.01564311  1
+  F  F12  1  0.03429129  0.41328946  0.25459898  1
+  F  F13  1  0.35023463  0.76309425  0.92161536  1
+  F  F14  1  0.35766053  0.69234872  0.14517947  1
+  F  F15  1  0.59111369  0.25303227  0.71727991  1
+  F  F16  1  0.07405785  0.17419212  0.63228655  1
+  F  F17  1  0.87173867  0.49828836  0.84489471  1

crystal_1006.cif

@@ -0,0 +1,46 @@
+# generated using pymatgen
+data_Ce7Cu4Sb9
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   7.83944028
+_cell_length_b   7.98668678
+_cell_length_c   8.09546454
+_cell_angle_alpha   107.59571490
+_cell_angle_beta   109.70745919
+_cell_angle_gamma   110.53147873
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   Ce7Cu4Sb9
+_chemical_formula_sum   'Ce7 Cu4 Sb9'
+_cell_volume   392.74402810
+_cell_formula_units_Z   1
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  Ce  Ce0  1  0.39843479  0.52170908  0.20850733  1
+  Ce  Ce1  1  0.17135762  0.17339122  0.64530122  1
+  Ce  Ce2  1  0.65852928  0.86993998  0.07636249  1
+  Ce  Ce3  1  0.90534711  0.67548889  0.85117483  1
+  Ce  Ce4  1  0.43799818  0.63734496  0.57553053  1
+  Ce  Ce5  1  0.92052835  0.39715666  0.19748168  1
+  Cu  Cu6  1  0.77857542  0.20242341  0.72943109  1
+  Ce  Ce7  1  0.42856839  0.05876347  0.23507072  1
+  Cu  Cu8  1  0.90190148  0.80998689  0.32902971  1
+  Cu  Cu9  1  0.26843557  0.95933938  0.86783695  1
+  Cu  Cu10  1  0.08226833  0.67136502  0.60613251  1
+  Sb  Sb11  1  0.64233589  0.46001375  0.86645865  1
+  Sb  Sb12  1  0.52887774  0.06511728  0.85967845  1
+  Sb  Sb13  1  0.77924395  0.24267937  0.47072566  1
+  Sb  Sb14  1  0.03115031  0.13907155  0.97869360  1
+  Sb  Sb15  1  0.18981300  0.80715430  0.35625017  1
+  Sb  Sb16  1  0.26323754  0.28072897  0.43800876  1
+  Sb  Sb17  1  0.81199253  0.83006746  0.57652402  1
+  Sb  Sb18  1  0.55513871  0.60984397  0.22252005  1
+  Sb  Sb19  1  0.24626608  0.58841455  0.90928155  1

crystal_1007.cif

@@ -0,0 +1,31 @@
+# generated using pymatgen
+data_YGe3Ru
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   4.20599386
+_cell_length_b   4.31883215
+_cell_length_c   5.60934325
+_cell_angle_alpha   111.29019771
+_cell_angle_beta   111.35112127
+_cell_angle_gamma   91.85411095
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   YGe3Ru
+_chemical_formula_sum   'Y1 Ge3 Ru1'
+_cell_volume   86.81953467
+_cell_formula_units_Z   1
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  Y  Y0  1  0.37706283  0.41121227  0.16523059  1
+  Ge  Ge1  1  0.00290275  0.02486664  0.48205942  1
+  Ge  Ge2  1  0.82769436  0.74404478  0.95044887  1
+  Ge  Ge3  1  0.61007696  0.16133246  0.71630663  1
+  Ru  Ru4  1  0.18226317  0.65854388  0.68595445  1

crystal_1008.cif

@@ -0,0 +1,32 @@
+# generated using pymatgen
+data_TaNCl
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   3.29698950
+_cell_length_b   3.28878721
+_cell_length_c   8.39927297
+_cell_angle_alpha   90.13124162
+_cell_angle_beta   89.90644620
+_cell_angle_gamma   91.83104320
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   TaNCl
+_chemical_formula_sum   'Ta2 N2 Cl2'
+_cell_volume   91.02727811
+_cell_formula_units_Z   2
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  Ta  Ta0  1  0.76943505  0.76642275  0.19182187  1
+  Ta  Ta1  1  0.22109202  0.22742394  0.49299210  1
+  Cl  Cl2  1  0.73663992  0.25447583  0.68371665  1
+  Cl  Cl3  1  0.25977495  0.72703028  0.93644345  1
+  N  N4  1  0.76485699  0.75993961  0.43732652  1
+  N  N5  1  0.24820107  0.26470757  0.25769937  1

crystal_1009.cif

@@ -0,0 +1,46 @@
+# generated using pymatgen
+data_Sc9As11
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   7.28060903
+_cell_length_b   7.39270012
+_cell_length_c   7.42483173
+_cell_angle_alpha   107.20979922
+_cell_angle_beta   109.74123032
+_cell_angle_gamma   111.26068896
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   Sc9As11
+_chemical_formula_sum   'Sc9 As11'
+_cell_volume   308.10504110
+_cell_formula_units_Z   1
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  Sc  Sc0  1  0.57239038  0.89917493  0.08410845  1
+  Sc  Sc1  1  0.04261838  0.47134182  0.49654663  1
+  Sc  Sc2  1  0.55113232  0.30736294  0.91778690  1
+  Sc  Sc3  1  0.05865402  0.05600429  0.29400781  1
+  Sc  Sc4  1  0.14698301  0.91532850  0.67452943  1
+  Sc  Sc5  1  0.04397906  0.34045804  0.92485601  1
+  Sc  Sc6  1  0.61386198  0.97507834  0.53472209  1
+  Sc  Sc7  1  0.95646244  0.66240072  0.88652170  1
+  As  As8  1  0.81591213  0.91538769  0.84774572  1
+  Sc  Sc9  1  0.43332589  0.59994876  0.39031130  1
+  As  As10  1  0.25338861  0.60851336  0.14435406  1
+  As  As11  1  0.76709110  0.67906249  0.10823748  1
+  As  As12  1  0.28073800  0.28846419  0.66758621  1
+  As  As13  1  0.82678676  0.06398973  0.49417132  1
+  As  As14  1  0.42781922  0.04421609  0.37596089  1
+  As  As15  1  0.98603821  0.71465003  0.40977022  1
+  As  As16  1  0.85141778  0.28215271  0.15395658  1
+  As  As17  1  0.30271268  0.64279151  0.83273625  1
+  As  As18  1  0.28660434  0.11044369  0.06613072  1
+  As  As19  1  0.78208375  0.42323014  0.69596028  1

crystal_101.cif

@@ -0,0 +1,30 @@
+# generated using pymatgen
+data_LiTb2Ir
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   4.91288113
+_cell_length_b   5.00281168
+_cell_length_c   4.99451312
+_cell_angle_alpha   59.81515812
+_cell_angle_beta   59.41562462
+_cell_angle_gamma   60.27305318
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   LiTb2Ir
+_chemical_formula_sum   'Li1 Tb2 Ir1'
+_cell_volume   86.46619255
+_cell_formula_units_Z   1
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  Li  Li0  1  0.86718214  0.61965895  0.63474452  1
+  Tb  Tb1  1  0.13180983  0.88707149  0.86168933  1
+  Tb  Tb2  1  0.61781049  0.39171353  0.38812554  1
+  Ir  Ir3  1  0.38319752  0.10155598  0.11544064  1

crystal_1010.cif

@@ -0,0 +1,30 @@
+# generated using pymatgen
+data_YAlCu2
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   4.65405169
+_cell_length_b   4.69068752
+_cell_length_c   4.64849004
+_cell_angle_alpha   60.05517989
+_cell_angle_beta   60.80815357
+_cell_angle_gamma   60.41493700
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   YAlCu2
+_chemical_formula_sum   'Y1 Al1 Cu2'
+_cell_volume   72.44219701
+_cell_formula_units_Z   1
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  Al  Al0  1  0.63645923  0.61490691  0.14770362  1
+  Y  Y1  1  0.12743574  0.11073618  0.60549760  1
+  Cu  Cu2  1  0.86502546  0.89196205  0.38900864  1
+  Cu  Cu3  1  0.37107956  0.38239485  0.85779011  1

crystal_1011.cif

@@ -0,0 +1,38 @@
+# generated using pymatgen
+data_LiMnN4
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   5.02147738
+_cell_length_b   5.00280198
+_cell_length_c   5.19180551
+_cell_angle_alpha   62.50232406
+_cell_angle_beta   61.00709380
+_cell_angle_gamma   59.81386506
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   LiMnN4
+_chemical_formula_sum   'Li2 Mn2 N8'
+_cell_volume   94.42301156
+_cell_formula_units_Z   2
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  Li  Li0  1  0.02852724  0.28265819  0.76627678  1
+  Li  Li1  1  0.11855687  0.59438109  0.44832611  1
+  Mn  Mn2  1  0.67920601  0.14391609  0.30027732  1
+  Mn  Mn3  1  0.15957804  0.09680263  0.42147753  1
+  N  N4  1  0.34352839  0.92668474  0.02593808  1
+  N  N5  1  0.42673308  0.21394569  0.11656399  1
+  N  N6  1  0.92221415  0.46084228  0.25493699  1
+  N  N7  1  0.53446996  0.94129914  0.62294686  1
+  N  N8  1  0.57385182  0.69984257  0.55727601  1
+  N  N9  1  0.31958640  0.58390105  0.61580300  1
+  N  N10  1  0.09184654  0.93713039  0.21016333  1
+  N  N11  1  0.80190158  0.11859604  0.66001403  1

crystal_1012.cif

@@ -0,0 +1,31 @@
+# generated using pymatgen
+data_Ti3P2
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   2.86168234
+_cell_length_b   2.91102599
+_cell_length_c   12.20124663
+_cell_angle_alpha   83.34504922
+_cell_angle_beta   82.17976266
+_cell_angle_gamma   59.65493514
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   Ti3P2
+_chemical_formula_sum   'Ti3 P2'
+_cell_volume   86.76857164
+_cell_formula_units_Z   1
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  Ti  Ti0  1  0.04924576  0.44374210  0.42099681  1
+  Ti  Ti1  1  0.37660521  0.80384207  0.22215638  1
+  Ti  Ti2  1  0.52695364  0.98567569  0.75660098  1
+  P  P3  1  0.82194334  0.24635977  0.05073783  1
+  P  P4  1  0.22525205  0.52038038  0.54950798  1

crystal_1013.cif

@@ -0,0 +1,46 @@
+# generated using pymatgen
+data_K(PSe2)3
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   7.02867030
+_cell_length_b   7.51439754
+_cell_length_c   10.05917867
+_cell_angle_alpha   89.82763981
+_cell_angle_beta   90.00941061
+_cell_angle_gamma   91.01204575
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   K(PSe2)3
+_chemical_formula_sum   'K2 P6 Se12'
+_cell_volume   531.20253623
+_cell_formula_units_Z   2
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  K  K0  1  0.36620378  0.59830749  0.14676510  1
+  K  K1  1  0.93659186  0.35510927  0.72415364  1
+  P  P2  1  0.77873111  0.11381532  0.07367492  1
+  P  P3  1  0.56728858  0.49119687  0.54016292  1
+  P  P4  1  0.81448734  0.67533892  0.17039534  1
+  P  P5  1  0.18786082  0.98466140  0.51059246  1
+  P  P6  1  0.01270535  0.80708098  0.70686376  1
+  P  P7  1  0.38459077  0.15344343  0.31334427  1
+  Se  Se8  1  0.73444283  0.63109720  0.38409430  1
+  Se  Se9  1  0.77965319  0.73537791  0.65864867  1
+  Se  Se10  1  0.18482050  0.29606563  0.00420598  1
+  Se  Se11  1  0.18345693  0.84718305  0.47519392  1
+  Se  Se12  1  0.16922989  0.37193418  0.38131201  1
+  Se  Se13  1  0.15696958  0.78002656  0.85199571  1
+  Se  Se14  1  0.31545478  0.58544856  0.65959704  1
+  Se  Se15  1  0.95125526  0.97712308  0.21595930  1
+  Se  Se16  1  0.64406812  0.20868251  0.45297992  1
+  Se  Se17  1  0.44778427  0.09016785  0.68904412  1
+  Se  Se18  1  0.69379795  0.40055761  0.06722738  1
+  Se  Se19  1  0.69060701  0.89738214  0.97378892  1

crystal_1014.cif

@@ -0,0 +1,45 @@
+# generated using pymatgen
+data_LaCe4(ErS6)2
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   3.83328973
+_cell_length_b   7.07998373
+_cell_length_c   14.50771011
+_cell_angle_alpha   103.87107770
+_cell_angle_beta   89.66812249
+_cell_angle_gamma   107.43423054
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   LaCe4(ErS6)2
+_chemical_formula_sum   'La1 Ce4 Er2 S12'
+_cell_volume   363.76355683
+_cell_formula_units_Z   1
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  La  La0  1  0.29877159  0.22582479  0.93017459  1
+  Ce  Ce1  1  0.84685075  0.32799903  0.52153265  1
+  Ce  Ce2  1  0.17889328  0.94574022  0.36577353  1
+  Ce  Ce3  1  0.51144230  0.73977453  0.78302228  1
+  Ce  Ce4  1  0.89968634  0.44206375  0.22035919  1
+  Er  Er5  1  0.63393462  0.92969406  0.12949117  1
+  Er  Er6  1  0.17316589  0.02973910  0.62531567  1
+  S  S7  1  0.28745401  0.23659807  0.11879680  1
+  S  S8  1  0.36492988  0.38094497  0.73055196  1
+  S  S9  1  0.91473150  0.64182466  0.43881330  1
+  S  S10  1  0.31837597  0.28218535  0.45815796  1
+  S  S11  1  0.63409615  0.94992375  0.67987615  1
+  S  S12  1  0.07449748  0.81170666  0.82344538  1
+  S  S13  1  0.79259402  0.29361087  0.90681881  1
+  S  S14  1  0.53798789  0.77809185  0.96746540  1
+  S  S15  1  0.98740029  0.68591106  0.11935717  1
+  S  S16  1  0.73087406  0.07979614  0.29373959  1
+  S  S17  1  0.42110309  0.62010705  0.32826829  1
+  S  S18  1  0.39321080  0.59846419  0.55904025  1

crystal_1015.cif

@@ -0,0 +1,29 @@
+# generated using pymatgen
+data_TiSe2
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   3.43334603
+_cell_length_b   3.48844237
+_cell_length_c   7.49881053
+_cell_angle_alpha   89.72589004
+_cell_angle_beta   89.57951138
+_cell_angle_gamma   120.17509431
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   TiSe2
+_chemical_formula_sum   'Ti1 Se2'
+_cell_volume   77.63733558
+_cell_formula_units_Z   1
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  Ti  Ti0  1  0.00097589  0.64901996  0.98284894  1
+  Se  Se1  1  0.65831107  0.00332106  0.78116310  1
+  Se  Se2  1  0.34071302  0.34765896  0.23598799  1

crystal_1016.cif

@@ -0,0 +1,34 @@
+# generated using pymatgen
+data_NiSn2GeBiP2S
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   3.73478301
+_cell_length_b   4.31533303
+_cell_length_c   11.58519698
+_cell_angle_alpha   89.95636287
+_cell_angle_beta   89.36051481
+_cell_angle_gamma   91.49284165
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   NiSn2GeBiP2S
+_chemical_formula_sum   'Ni1 Sn2 Ge1 Bi1 P2 S1'
+_cell_volume   186.64157597
+_cell_formula_units_Z   1
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  Sn  Sn0  1  0.74889100  0.40483096  0.43097311  1
+  Sn  Sn1  1  0.76245070  0.27643645  0.89507788  1
+  Bi  Bi2  1  0.75361824  0.12134821  0.65320641  1
+  Ge  Ge3  1  0.76860970  0.14502694  0.21638362  1
+  S  S4  1  0.23351920  0.76614881  0.82808012  1
+  Ni  Ni5  1  0.24208474  0.74956703  0.05126130  1
+  P  P6  1  0.25541055  0.76235390  0.60788250  1
+  P  P7  1  0.23541591  0.77428782  0.31713510  1

crystal_1017.cif

@@ -0,0 +1,29 @@
+# generated using pymatgen
+data_Sr
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   3.99975066
+_cell_length_b   4.07130374
+_cell_length_c   10.00811637
+_cell_angle_alpha   78.21814280
+_cell_angle_beta   77.12727370
+_cell_angle_gamma   61.28464515
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   Sr
+_chemical_formula_sum   Sr3
+_cell_volume   138.43654730
+_cell_formula_units_Z   3
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  Sr  Sr0  1  0.26228178  0.24615949  0.64950174  1
+  Sr  Sr1  1  0.74636763  0.74500406  0.03002585  1
+  Sr  Sr2  1  0.99135059  0.00883642  0.32047248  1

crystal_1018.cif

@@ -0,0 +1,32 @@
+# generated using pymatgen
+data_LiMg2
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   2.97116203
+_cell_length_b   5.72308481
+_cell_length_c   6.49777958
+_cell_angle_alpha   107.01300478
+_cell_angle_beta   90.82839500
+_cell_angle_gamma   105.96113616
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   LiMg2
+_chemical_formula_sum   'Li2 Mg4'
+_cell_volume   101.03848238
+_cell_formula_units_Z   2
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  Li  Li0  1  0.96904957  0.01536034  0.19803184  1
+  Li  Li1  1  0.23148969  0.64215255  0.89849854  1
+  Mg  Mg2  1  0.62767386  0.26470470  0.63791579  1
+  Mg  Mg3  1  0.25719216  0.75734168  0.38279334  1
+  Mg  Mg4  1  0.95642352  0.93573004  0.77212572  1
+  Mg  Mg5  1  0.95817125  0.38471067  0.11063480  1

crystal_1019.cif

@@ -0,0 +1,30 @@
+# generated using pymatgen
+data_Mn3Mo
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   3.91626423
+_cell_length_b   3.95554950
+_cell_length_c   3.90851250
+_cell_angle_alpha   60.01796458
+_cell_angle_beta   60.05712554
+_cell_angle_gamma   60.23982704
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   Mn3Mo
+_chemical_formula_sum   'Mn3 Mo1'
+_cell_volume   42.91442684
+_cell_formula_units_Z   1
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  Mn  Mn0  1  0.62568820  0.61486214  0.89065170  1
+  Mn  Mn1  1  0.13409002  0.14439006  0.38563082  1
+  Mn  Mn2  1  0.36066446  0.36696932  0.61365610  1
+  Mo  Mo3  1  0.87955731  0.87377846  0.11006142  1

crystal_102.cif

@@ -0,0 +1,34 @@
+# generated using pymatgen
+data_ScNiSb2
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   4.09835184
+_cell_length_b   4.13335220
+_cell_length_c   9.63324609
+_cell_angle_alpha   90.45902056
+_cell_angle_beta   90.45986711
+_cell_angle_gamma   91.07322359
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   ScNiSb2
+_chemical_formula_sum   'Sc2 Ni2 Sb4'
+_cell_volume   163.14721113
+_cell_formula_units_Z   2
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  Sc  Sc0  1  0.75076544  0.73001420  0.61743176  1
+  Sc  Sc1  1  0.77079970  0.74618000  0.10573304  1
+  Ni  Ni2  1  0.25421214  0.26844174  0.90470165  1
+  Ni  Ni3  1  0.25503367  0.25971246  0.26645038  1
+  Sb  Sb4  1  0.23884378  0.72988558  0.39766771  1
+  Sb  Sb5  1  0.73809832  0.26070625  0.21444020  1
+  Sb  Sb6  1  0.23963852  0.73753560  0.85922992  1
+  Sb  Sb7  1  0.75260842  0.26752415  0.63434541  1

crystal_1020.cif

@@ -0,0 +1,30 @@
+# generated using pymatgen
+data_SrNdTl2
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   5.62870583
+_cell_length_b   5.70837349
+_cell_length_c   5.70322015
+_cell_angle_alpha   59.63106049
+_cell_angle_beta   60.13164147
+_cell_angle_gamma   59.93205608
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   SrNdTl2
+_chemical_formula_sum   'Sr1 Nd1 Tl2'
+_cell_volume   129.27232968
+_cell_formula_units_Z   1
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  Sr  Sr0  1  0.61967146  0.61724508  0.86699331  1
+  Nd  Nd1  1  0.13101524  0.11680027  0.37123442  1
+  Tl  Tl2  1  0.86700565  0.87114882  0.14550078  1
+  Tl  Tl3  1  0.38230765  0.39480582  0.61627150  1

crystal_1021.cif

@@ -0,0 +1,30 @@
+# generated using pymatgen
+data_Dy2RuPt
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   4.84242489
+_cell_length_b   4.94203205
+_cell_length_c   4.90963016
+_cell_angle_alpha   59.94995110
+_cell_angle_beta   60.03133422
+_cell_angle_gamma   60.54039193
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   Dy2RuPt
+_chemical_formula_sum   'Dy2 Ru1 Pt1'
+_cell_volume   83.40309711
+_cell_formula_units_Z   1
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  Dy  Dy0  1  0.61325896  0.39307687  0.11211706  1
+  Dy  Dy1  1  0.12366682  0.86758840  0.61192954  1
+  Ru  Ru2  1  0.89038628  0.61511195  0.39597487  1
+  Pt  Pt3  1  0.37268800  0.12422282  0.87997854  1

crystal_1022.cif

@@ -0,0 +1,34 @@
+# generated using pymatgen
+data_Li2PrSmS4
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   5.71451582
+_cell_length_b   5.68439362
+_cell_length_c   6.95806143
+_cell_angle_alpha   112.69911465
+_cell_angle_beta   111.24524444
+_cell_angle_gamma   90.78484101
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   Li2PrSmS4
+_chemical_formula_sum   'Li2 Pr1 Sm1 S4'
+_cell_volume   191.22150817
+_cell_formula_units_Z   1
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  Li  Li0  1  0.10140059  0.84053391  0.86161482  1
+  Li  Li1  1  0.32542521  0.61543012  0.47743350  1
+  Pr  Pr2  1  0.79924423  0.07600637  0.39988041  1
+  Sm  Sm3  1  0.55728620  0.34107140  0.81612581  1
+  S  S4  1  0.48082349  0.22953200  0.11285746  1
+  S  S5  1  0.90836507  0.70089966  0.09704385  1
+  S  S6  1  0.66042340  0.88235581  0.62450683  1
+  S  S7  1  0.16703179  0.31417072  0.61053723  1

crystal_1023.cif

@@ -0,0 +1,33 @@
+# generated using pymatgen
+data_Pu3C4
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   3.28708672
+_cell_length_b   3.31391552
+_cell_length_c   8.90846303
+_cell_angle_alpha   79.50659727
+_cell_angle_beta   79.49866169
+_cell_angle_gamma   60.19824743
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   Pu3C4
+_chemical_formula_sum   'Pu3 C4'
+_cell_volume   82.31905114
+_cell_formula_units_Z   1
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  Pu  Pu0  1  0.02947732  0.36613598  0.88212955  1
+  Pu  Pu1  1  0.53043997  0.07327191  0.44017953  1
+  Pu  Pu2  1  0.48861554  0.87140906  0.18274070  1
+  C  C3  1  0.67996687  0.14294416  0.23840068  1
+  C  C4  1  0.29169542  0.64051360  0.54961717  1
+  C  C5  1  0.38754803  0.75957626  0.03252853  1
+  C  C6  1  0.59225690  0.14614901  0.67440379  1

crystal_1024.cif

@@ -0,0 +1,35 @@
+# generated using pymatgen
+data_K2TiBiO5
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   3.84057590
+_cell_length_b   3.76667726
+_cell_length_c   8.92605331
+_cell_angle_alpha   90.31477182
+_cell_angle_beta   90.19540259
+_cell_angle_gamma   90.16962100
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   K2TiBiO5
+_chemical_formula_sum   'K2 Ti1 Bi1 O5'
+_cell_volume   129.12288826
+_cell_formula_units_Z   1
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  K  K0  1  0.76859999  0.76639366  0.55938554  1
+  K  K1  1  0.28228778  0.29405093  0.09980551  1
+  Ti  Ti2  1  0.78561062  0.79038602  0.30435091  1
+  Bi  Bi3  1  0.28297734  0.26850197  0.68227565  1
+  O  O4  1  0.76411700  0.26374030  0.79830760  1
+  O  O5  1  0.27730769  0.75314420  0.81386948  1
+  O  O6  1  0.77614760  0.28310978  0.32355046  1
+  O  O7  1  0.78491431  0.78725457  0.08949469  1
+  O  O8  1  0.27803761  0.79341853  0.32896021  1

crystal_1025.cif

@@ -0,0 +1,44 @@
+# generated using pymatgen
+data_Mn3O5F
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   5.34821556
+_cell_length_b   5.48787718
+_cell_length_c   6.77241067
+_cell_angle_alpha   72.51587927
+_cell_angle_beta   71.77469330
+_cell_angle_gamma   73.25544381
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   Mn3O5F
+_chemical_formula_sum   'Mn6 O10 F2'
+_cell_volume   175.89503915
+_cell_formula_units_Z   2
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  Mn  Mn0  1  0.66752440  0.93094277  0.12958997  1
+  Mn  Mn1  1  0.87605405  0.17936501  0.28596425  1
+  Mn  Mn2  1  0.66216415  0.93223292  0.67800134  1
+  Mn  Mn3  1  0.01439615  0.26503116  0.72542214  1
+  Mn  Mn4  1  0.26405704  0.48193762  0.94577217  1
+  Mn  Mn5  1  0.38950264  0.58061576  0.48243544  1
+  O  O6  1  0.84916615  0.63521993  0.06692135  1
+  O  O7  1  0.55391455  0.16618076  0.28599688  1
+  O  O8  1  0.02540830  0.37303910  0.35131899  1
+  O  O9  1  0.48007542  0.86397469  0.88870096  1
+  O  O10  1  0.08950815  0.62885880  0.64295006  1
+  O  O11  1  0.58127910  0.40124664  0.55462420  1
+  O  O12  1  0.71408826  0.18354854  0.87252474  1
+  O  O13  1  0.27806354  0.59609151  0.89246875  1
+  O  O14  1  0.23525135  0.05043793  0.58576983  1
+  O  O15  1  0.86419868  0.80506527  0.37495342  1
+  F  F16  1  0.07247330  0.15197027  0.01517257  1
+  F  F17  1  0.38287467  0.77424151  0.22141314  1

crystal_1026.cif

@@ -0,0 +1,38 @@
+# generated using pymatgen
+data_DySiPt
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   4.10896905
+_cell_length_b   6.83085125
+_cell_length_c   7.30877890
+_cell_angle_alpha   90.31579343
+_cell_angle_beta   90.45934287
+_cell_angle_gamma   90.79184693
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   DySiPt
+_chemical_formula_sum   'Dy4 Si4 Pt4'
+_cell_volume   205.11159985
+_cell_formula_units_Z   4
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  Dy  Dy0  1  0.23719199  0.24248248  0.52369213  1
+  Dy  Dy1  1  0.24515791  0.77967530  0.61551344  1
+  Dy  Dy2  1  0.76338303  0.57229388  0.99093652  1
+  Dy  Dy3  1  0.76578730  0.03219063  0.19500257  1
+  Si  Si4  1  0.75124347  0.29861075  0.75845665  1
+  Si  Si5  1  0.76508665  0.77496707  0.42206058  1
+  Si  Si6  1  0.23370861  0.32538745  0.15307567  1
+  Si  Si7  1  0.24319799  0.83010459  0.00235077  1
+  Pt  Pt8  1  0.75388062  0.40845612  0.39113635  1
+  Pt  Pt9  1  0.74305516  0.98138219  0.80779839  1
+  Pt  Pt10  1  0.25777006  0.61650562  0.25184348  1
+  Pt  Pt11  1  0.24053706  0.13794383  0.88813353  1

crystal_1027.cif

@@ -0,0 +1,46 @@
+# generated using pymatgen
+data_La3Sb3Au4
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   8.58910221
+_cell_length_b   8.82444625
+_cell_length_c   8.83755195
+_cell_angle_alpha   107.08431724
+_cell_angle_beta   109.65959137
+_cell_angle_gamma   110.45018649
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   La3Sb3Au4
+_chemical_formula_sum   'La6 Sb6 Au8'
+_cell_volume   522.88573320
+_cell_formula_units_Z   2
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  La  La0  1  0.41048181  0.87719136  0.91188401  1
+  La  La1  1  0.39793065  0.88163102  0.43712708  1
+  La  La2  1  0.81221336  0.79357576  0.61383855  1
+  La  La3  1  0.00482363  0.40506795  0.06221360  1
+  La  La4  1  0.54998827  0.33221710  0.69968206  1
+  La  La5  1  0.86938775  0.90918100  0.23203476  1
+  Sb  Sb6  1  0.52751088  0.57184851  0.37538597  1
+  Sb  Sb7  1  0.22770509  0.93151492  0.50599253  1
+  Sb  Sb8  1  0.05375490  0.74361694  0.98576653  1
+  Sb  Sb9  1  0.99303675  0.32941744  0.39456275  1
+  Sb  Sb10  1  0.61822903  0.40025100  0.15517798  1
+  Sb  Sb11  1  0.14665513  0.19859535  0.84244800  1
+  Au  Au12  1  0.40687010  0.58324760  0.11080007  1
+  Au  Au13  1  0.90270358  0.24741524  0.62215871  1
+  Au  Au14  1  0.28940377  0.13616167  0.26943061  1
+  Au  Au15  1  0.87268704  0.58632052  0.08840773  1
+  Au  Au16  1  0.12750542  0.57009280  0.58174324  1
+  Au  Au17  1  0.38556442  0.45880029  0.78618735  1
+  Au  Au18  1  0.64603579  0.02623047  0.37691206  1
+  Au  Au19  1  0.75751257  0.01762296  0.94824654  1

crystal_1028.cif

@@ -0,0 +1,30 @@
+# generated using pymatgen
+data_YHg2Bi
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   5.30812037
+_cell_length_b   5.36282647
+_cell_length_c   5.38049803
+_cell_angle_alpha   59.65713728
+_cell_angle_beta   59.95030436
+_cell_angle_gamma   59.95023701
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   YHg2Bi
+_chemical_formula_sum   'Y1 Hg2 Bi1'
+_cell_volume   107.93911008
+_cell_formula_units_Z   1
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  Y  Y0  1  0.86464626  0.14279211  0.36910018  1
+  Bi  Bi1  1  0.37517267  0.60206723  0.88089240  1
+  Hg  Hg2  1  0.62953770  0.87153924  0.15068285  1
+  Hg  Hg3  1  0.13064337  0.38360140  0.59932458  1

crystal_1029.cif

@@ -0,0 +1,32 @@
+# generated using pymatgen
+data_ErCuW
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   5.21029575
+_cell_length_b   5.31100701
+_cell_length_c   5.31434454
+_cell_angle_alpha   59.90704553
+_cell_angle_beta   59.52171741
+_cell_angle_gamma   60.27330045
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   ErCuW
+_chemical_formula_sum   'Er2 Cu2 W2'
+_cell_volume   103.74254177
+_cell_formula_units_Z   2
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  Er  Er0  1  0.09215225  0.57420981  0.71032280  1
+  Er  Er1  1  0.37972191  0.83968920  0.90313512  1
+  W  W2  1  0.74352890  0.21331170  0.70265126  1
+  W  W3  1  0.29565609  0.20343257  0.26735446  1
+  Cu  Cu4  1  0.73756313  0.77782845  0.31955069  1
+  Cu  Cu5  1  0.75137770  0.39152828  0.09698555  1

crystal_103.cif

@@ -0,0 +1,30 @@
+# generated using pymatgen
+data_Hf2NiOs
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   4.52438392
+_cell_length_b   4.59186629
+_cell_length_c   4.55246167
+_cell_angle_alpha   59.93557110
+_cell_angle_beta   60.13696331
+_cell_angle_gamma   60.68188136
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   Hf2NiOs
+_chemical_formula_sum   'Hf2 Ni1 Os1'
+_cell_volume   67.25210381
+_cell_formula_units_Z   1
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  Hf  Hf0  1  0.62782019  0.87078762  0.38920969  1
+  Hf  Hf1  1  0.12700638  0.37944362  0.88527018  1
+  Ni  Ni2  1  0.87218058  0.12870103  0.60666883  1
+  Os  Os3  1  0.37299281  0.62106770  0.11885133  1

crystal_1030.cif

@@ -0,0 +1,36 @@
+# generated using pymatgen
+data_SrBiO3
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   5.19044575
+_cell_length_b   6.01990272
+_cell_length_c   5.92104804
+_cell_angle_alpha   117.57846510
+_cell_angle_beta   89.84480148
+_cell_angle_gamma   90.51146835
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   SrBiO3
+_chemical_formula_sum   'Sr2 Bi2 O6'
+_cell_volume   163.98104362
+_cell_formula_units_Z   2
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  Sr  Sr0  1  0.80994290  0.34686780  0.89970148  1
+  Sr  Sr1  1  0.30204803  0.40973291  0.32450417  1
+  Bi  Bi2  1  0.79363918  0.91082358  0.33646178  1
+  Bi  Bi3  1  0.30893230  0.68996668  0.84093451  1
+  O  O4  1  0.14653336  0.09399965  0.40715247  1
+  O  O5  1  0.73085624  0.49073249  0.56240594  1
+  O  O6  1  0.22421129  0.69688535  0.23521644  1
+  O  O7  1  0.65213001  0.03766029  0.06677526  1
+  O  O8  1  0.71583003  0.04674766  0.50894713  1
+  O  O9  1  0.31587672  0.27658361  0.81790090  1

crystal_1031.cif

@@ -0,0 +1,30 @@
+# generated using pymatgen
+data_Er2ZnAg
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   4.90711484
+_cell_length_b   4.98631929
+_cell_length_c   4.96452940
+_cell_angle_alpha   60.10193092
+_cell_angle_beta   60.63416403
+_cell_angle_gamma   60.67020221
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   Er2ZnAg
+_chemical_formula_sum   'Er2 Zn1 Ag1'
+_cell_volume   86.80020308
+_cell_formula_units_Z   1
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  Er  Er0  1  0.36024654  0.36218545  0.40509486  1
+  Er  Er1  1  0.13902421  0.10100715  0.12099627  1
+  Zn  Zn2  1  0.61992645  0.66682142  0.61475319  1
+  Ag  Ag3  1  0.88080281  0.86998594  0.85915571  1

crystal_1032.cif

@@ -0,0 +1,30 @@
+# generated using pymatgen
+data_ErLuAg2
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   4.82538501
+_cell_length_b   4.91122721
+_cell_length_c   4.84545452
+_cell_angle_alpha   59.96105509
+_cell_angle_beta   58.93680880
+_cell_angle_gamma   60.33952156
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   ErLuAg2
+_chemical_formula_sum   'Er1 Lu1 Ag2'
+_cell_volume   80.70261788
+_cell_formula_units_Z   1
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  Er  Er0  1  0.38471681  0.60365880  0.11388981  1
+  Lu  Lu1  1  0.86978066  0.10868976  0.62592125  1
+  Ag  Ag2  1  0.62800229  0.91629767  0.40402544  1
+  Ag  Ag3  1  0.11750029  0.37135375  0.85616362  1

crystal_1033.cif

@@ -0,0 +1,44 @@
+# generated using pymatgen
+data_Sm13Sb5
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   6.80621781
+_cell_length_b   9.65438700
+_cell_length_c   9.62494179
+_cell_angle_alpha   119.83514567
+_cell_angle_beta   90.21423504
+_cell_angle_gamma   90.05871197
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   Sm13Sb5
+_chemical_formula_sum   'Sm13 Sb5'
+_cell_volume   548.62159733
+_cell_formula_units_Z   1
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  Sm  Sm0  1  0.12887937  0.01894271  0.11784280  1
+  Sm  Sm1  1  0.62123162  0.35404593  0.73699439  1
+  Sm  Sm2  1  0.13804886  0.46650478  0.74465704  1
+  Sm  Sm3  1  0.63453418  0.32110718  0.34894168  1
+  Sm  Sm4  1  0.13007703  0.87088406  0.43917996  1
+  Sm  Sm5  1  0.61609727  0.91826290  0.98347270  1
+  Sm  Sm6  1  0.34168911  0.68068516  0.63772953  1
+  Sm  Sm7  1  0.62429792  0.91481197  0.43892345  1
+  Sm  Sm8  1  0.34758416  0.38215074  0.07018691  1
+  Sm  Sm9  1  0.83992618  0.89424855  0.65484589  1
+  Sm  Sm10  1  0.85224611  0.22167739  0.98473632  1
+  Sm  Sm11  1  0.33687595  0.20281404  0.41917053  1
+  Sb  Sb12  1  0.36559480  0.04450762  0.85197973  1
+  Sm  Sm13  1  0.88546294  0.57655203  0.20932481  1
+  Sb  Sb14  1  0.35962027  0.71117806  0.05758237  1
+  Sb  Sb15  1  0.10880844  0.16304988  0.65579832  1
+  Sb  Sb16  1  0.83620465  0.58398974  0.60923088  1
+  Sb  Sb17  1  0.83282107  0.67458725  0.03940257  1

crystal_1034.cif

@@ -0,0 +1,44 @@
+# generated using pymatgen
+data_CaCdF7
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   5.20477589
+_cell_length_b   5.22925689
+_cell_length_c   8.19638513
+_cell_angle_alpha   90.80196657
+_cell_angle_beta   90.08601225
+_cell_angle_gamma   90.94641713
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   CaCdF7
+_chemical_formula_sum   'Ca2 Cd2 F14'
+_cell_volume   223.02930011
+_cell_formula_units_Z   2
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  Ca  Ca0  1  0.36783636  0.41769138  0.59943449  1
+  Ca  Ca1  1  0.39097726  0.38805467  0.14401624  1
+  Cd  Cd2  1  0.90470803  0.95951682  0.60713202  1
+  Cd  Cd3  1  0.89613819  0.88608217  0.09275329  1
+  F  F4  1  0.59329176  0.45309508  0.60626274  1
+  F  F5  1  0.86694700  0.22178125  0.75869358  1
+  F  F6  1  0.38492697  0.05654706  0.73555028  1
+  F  F7  1  0.39102364  0.12437718  0.43027380  1
+  F  F8  1  0.10904360  0.60634089  0.33131957  1
+  F  F9  1  0.87435216  0.11427264  0.40621796  1
+  F  F10  1  0.64884281  0.74695408  0.16989890  1
+  F  F11  1  0.70557117  0.73459518  0.86246741  1
+  F  F12  1  0.70216286  0.70474535  0.43125361  1
+  F  F13  1  0.11287744  0.59147406  0.96263278  1
+  F  F14  1  0.10373676  0.70144290  0.63434213  1
+  F  F15  1  0.59618068  0.21967773  0.07091900  1
+  F  F16  1  0.14267270  0.08217671  0.95594114  1
+  F  F17  1  0.20871072  0.99117494  0.20089102  1

crystal_1035.cif

@@ -0,0 +1,36 @@
+# generated using pymatgen
+data_ZnFe3N
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   2.79347989
+_cell_length_b   2.84807634
+_cell_length_c   10.99989969
+_cell_angle_alpha   90.30856538
+_cell_angle_beta   89.29810558
+_cell_angle_gamma   118.91959990
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   ZnFe3N
+_chemical_formula_sum   'Zn2 Fe6 N2'
+_cell_volume   76.59664322
+_cell_formula_units_Z   2
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  Fe  Fe0  1  0.03637990  0.96609217  0.73562866  1
+  Fe  Fe1  1  0.31988844  0.67330921  0.08050210  1
+  Fe  Fe2  1  0.66405314  0.32780206  0.61517036  1
+  Fe  Fe3  1  0.01058976  0.02871357  0.31508759  1
+  Fe  Fe4  1  0.33533627  0.67182791  0.40624362  1
+  Fe  Fe5  1  0.67039967  0.33442432  0.88151234  1
+  Zn  Zn6  1  0.68539649  0.33250228  0.42805311  1
+  Zn  Zn7  1  0.68892223  0.31863436  0.12908006  1
+  N  N8  1  0.27782673  0.67228717  0.56695700  1
+  N  N9  1  0.31120732  0.67440689  0.84176517  1

crystal_1036.cif

@@ -0,0 +1,30 @@
+# generated using pymatgen
+data_ThScSb2
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   4.70080694
+_cell_length_b   4.78393552
+_cell_length_c   4.77622834
+_cell_angle_alpha   90.00921071
+_cell_angle_beta   89.57533059
+_cell_angle_gamma   90.56674305
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   ThScSb2
+_chemical_formula_sum   'Th1 Sc1 Sb2'
+_cell_volume   107.40132424
+_cell_formula_units_Z   1
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  Th  Th0  1  0.75138980  0.25331521  0.85183644  1
+  Sc  Sc1  1  0.25667670  0.75828612  0.32400709  1
+  Sb  Sb2  1  0.25595748  0.28111264  0.22587900  1
+  Sb  Sb3  1  0.73597598  0.70728600  0.59827751  1

crystal_1037.cif

@@ -0,0 +1,31 @@
+# generated using pymatgen
+data_PrSiPRh2
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   3.92151936
+_cell_length_b   4.02671366
+_cell_length_c   6.46129121
+_cell_angle_alpha   107.90032110
+_cell_angle_beta   107.87910027
+_cell_angle_gamma   91.09823453
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   PrSiPRh2
+_chemical_formula_sum   'Pr1 Si1 P1 Rh2'
+_cell_volume   91.67248379
+_cell_formula_units_Z   1
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  Pr  Pr0  1  0.37220016  0.00542715  0.77237457  1
+  P  P1  1  0.71703571  0.36028710  0.55119884  1
+  Si  Si2  1  0.09076667  0.65055776  0.07242273  1
+  Rh  Rh3  1  0.66474134  0.70475316  0.27214795  1
+  Rh  Rh4  1  0.15525615  0.27897483  0.33185589  1

crystal_1038.cif

@@ -0,0 +1,32 @@
+# generated using pymatgen
+data_Mg2Zn
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   2.95182304
+_cell_length_b   5.63656756
+_cell_length_c   7.67770308
+_cell_angle_alpha   102.99977731
+_cell_angle_beta   89.52185216
+_cell_angle_gamma   106.44777527
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   Mg2Zn
+_chemical_formula_sum   'Mg4 Zn2'
+_cell_volume   119.16580821
+_cell_formula_units_Z   2
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  Mg  Mg0  1  0.01497401  0.71082425  0.61862814  1
+  Mg  Mg1  1  0.06270331  0.67725027  0.08090395  1
+  Mg  Mg2  1  0.31997079  0.36392820  0.27890942  1
+  Mg  Mg3  1  0.31117636  0.34329623  0.70108527  1
+  Zn  Zn4  1  0.62510502  0.89863849  0.40585709  1
+  Zn  Zn5  1  0.66607058  0.00606258  0.91461611  1

crystal_1039.cif

@@ -0,0 +1,36 @@
+# generated using pymatgen
+data_Sr2MnSnO6
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   5.27959508
+_cell_length_b   5.33508661
+_cell_length_c   5.34674706
+_cell_angle_alpha   119.37232057
+_cell_angle_beta   119.00191584
+_cell_angle_gamma   90.09847916
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   Sr2MnSnO6
+_chemical_formula_sum   'Sr2 Mn1 Sn1 O6'
+_cell_volume   108.96966300
+_cell_formula_units_Z   1
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  Sr  Sr0  1  0.30286410  0.77121544  0.60373425  1
+  Sr  Sr1  1  0.29799029  0.28352705  0.66956151  1
+  Sn  Sn2  1  0.92555296  0.66266513  0.80651808  1
+  Mn  Mn3  1  0.61677122  0.04251546  0.13533022  1
+  O  O4  1  0.93314517  0.38495451  0.32963607  1
+  O  O5  1  0.31020278  0.79266906  0.18836942  1
+  O  O6  1  0.79464793  0.31302664  0.68831831  1
+  O  O7  1  0.80319220  0.73188722  0.43930691  1
+  O  O8  1  0.75774461  0.76562506  0.99251640  1
+  O  O9  1  0.25788879  0.25191441  0.14670883  1

crystal_104.cif

@@ -0,0 +1,36 @@
+# generated using pymatgen
+data_Ca2TiCoO6
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   5.10103307
+_cell_length_b   5.17518774
+_cell_length_c   5.38002001
+_cell_angle_alpha   61.03621540
+_cell_angle_beta   61.74283435
+_cell_angle_gamma   60.35365987
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   Ca2TiCoO6
+_chemical_formula_sum   'Ca2 Ti1 Co1 O6'
+_cell_volume   102.75979678
+_cell_formula_units_Z   1
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  Ca  Ca0  1  0.84329331  0.12060204  0.50460589  1
+  Ca  Ca1  1  0.37996829  0.59541279  0.03291209  1
+  Ti  Ti2  1  0.13207774  0.41006523  0.71792400  1
+  Co  Co3  1  0.58329463  0.90399975  0.19581454  1
+  O  O4  1  0.28912461  0.04150568  0.32949883  1
+  O  O5  1  0.03643414  0.64107716  0.86443323  1
+  O  O6  1  0.38079965  0.03332442  0.80385005  1
+  O  O7  1  0.97335958  0.65831184  0.36923277  1
+  O  O8  1  0.66580230  0.27476731  0.32266867  1
+  O  O9  1  0.71584582  0.32093382  0.85905993  1

crystal_1040.cif

@@ -0,0 +1,36 @@
+# generated using pymatgen
+data_La4ZrCo2As3
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   4.20207249
+_cell_length_b   4.29181257
+_cell_length_c   18.04018433
+_cell_angle_alpha   88.42172717
+_cell_angle_beta   90.17441083
+_cell_angle_gamma   121.10005930
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   La4ZrCo2As3
+_chemical_formula_sum   'La4 Zr1 Co2 As3'
+_cell_volume   278.45330700
+_cell_formula_units_Z   1
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  Zr  Zr0  1  0.92785943  0.61857450  0.93351340  1
+  La  La1  1  0.62499297  0.88940758  0.13821460  1
+  La  La2  1  0.64183629  0.76255858  0.55450553  1
+  La  La3  1  0.93266129  0.58267146  0.31617635  1
+  La  La4  1  0.61982048  0.89087617  0.84663785  1
+  Co  Co5  1  0.30140132  0.14438407  0.39244580  1
+  Co  Co6  1  0.15497759  0.39568496  0.66383910  1
+  As  As7  1  0.26150209  0.27826333  0.04394074  1
+  As  As8  1  0.31434399  0.16720395  0.79149711  1
+  As  As9  1  0.22060440  0.27037549  0.31922954  1

crystal_1041.cif

@@ -0,0 +1,30 @@
+# generated using pymatgen
+data_IBr
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   4.49811197
+_cell_length_b   4.67508602
+_cell_length_c   8.38696033
+_cell_angle_alpha   89.69745265
+_cell_angle_beta   89.62511611
+_cell_angle_gamma   119.88462500
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   IBr
+_chemical_formula_sum   'I2 Br2'
+_cell_volume   152.90738350
+_cell_formula_units_Z   2
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  I  I0  1  0.32303858  0.11171856  0.61193669  1
+  I  I1  1  0.15560992  0.32264039  0.16688156  1
+  Br  Br2  1  0.89909452  0.65468609  0.39932814  1
+  Br  Br3  1  0.62225693  0.91095495  0.82185364  1