LMucko/crystallography-open-database huggingface dataset:
The Crystal Structure of Cesium Aurous Auric Chloride, Vs2 Au Au Cl6, and Cesium Argentous Auric Chloride, Cs2 Ag Au Cl6 _cod_database_code 1010201
Elliott, N.; Pauling, L.; Journal of the American Chemical Society 60 (1938) 1846–1851; doi:10.1021/ja01275a037

data_9015140
_publ_section_title
;
 The Crystal Structure of Cesium Aurous Auric Chloride, Vs2 Au Au
 Cl6, and Cesium Argentous Auric Chloride, Cs2 Ag Au Cl6
 _cod_database_code 1010201
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              1846
_journal_page_last               1851
_journal_paper_doi               10.1021/ja01275a037
_journal_volume                  60
_journal_year                    1938
_chemical_formula_sum            'Au Cl3 Cs'
_space_group_IT_number           139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.49
_cell_length_b                   7.49
_cell_length_c                   10.87
_cell_formula_units_Z            4
_cell_volume                     609.808
_database_code_amcsd             0017137
_exptl_crystal_density_diffrn    4.752
_cod_duplicate_entry             1010201
_cod_original_formula_sum        'Au Cs Cl3'
_cod_database_code               9015140
_amcsd_formula_title             'Au2 Cl6 Cs2'
Menchettiite, AgPb2.40Mn1.60Sb3As2S12, a new sulfosalt, belonging to the lillianite series from the Uchucchacua polymetallic deposit, Lima Department, Peru Note site occupancy model II
Bindi, L.; Keutsch, F. N.; Bonazzi, P.; American Mineralogist 97 (2012) 440–446; doi:10.2138/am.2012.3944

data_9015141
_publ_section_title
;
 Menchettiite, AgPb2.40Mn1.60Sb3As2S12, a new sulfosalt,
 belonging to the lillianite series from the Uchucchacua polymetallic
 deposit, Lima Department, Peru
 Note site occupancy model II
;
_journal_name_full               'American Mineralogist'
_journal_page_first              440
_journal_page_last               446
_journal_paper_doi               10.2138/am.2012.3944
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        'Uchucchacua, Lima Department, Peru'
_chemical_formula_sum            'Ag As1.89 Mn1.6 Pb2.28 S12 Sb3.15'
_chemical_name_mineral           Menchettiite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.08
_cell_angle_gamma                90
_cell_length_a                   19.233
_cell_length_b                   12.633
_cell_length_c                   8.476
_cell_formula_units_Z            4
_cell_volume                     2059.416
_database_code_amcsd             0018782
_exptl_crystal_density_diffrn    5.090
_cod_original_formula_sum        'Mn1.6 Pb2.28 As1.89 Sb3.15 Ag S12'
_cod_database_code               9015141
Chlorartinite, a volcanic exhalation product also found in industrial magnesia screed Note: this is the hydrated chlorartinite
Sugimoto, K.; Dinnebier, R. E.; Schlecht, T.; Journal of Applied Crystallography 39 (2006) 739–744; doi:10.1107/S0021889806032109

data_9015142
_publ_section_title
;
 Chlorartinite, a volcanic exhalation product also found
 in industrial magnesia screed
 Note: this is the hydrated chlorartinite
;
_journal_name_full               'Journal of Applied Crystallography'
_journal_page_first              739
_journal_page_last               744
_journal_paper_doi               10.1107/S0021889806032109
_journal_volume                  39
_journal_year                    2006
_chemical_compound_source        Synthetic
_chemical_formula_sum            'C H7 Cl Mg2 O7'
_chemical_name_mineral           Chlorartinite
_space_group_IT_number           161
_symmetry_space_group_name_Hall  'R 3 -2"c'
_symmetry_space_group_name_H-M   'R 3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            18
_cell_length_a                   23.14422
_cell_length_b                   23.14422
_cell_length_c                   7.22333
_cell_volume                     3350.836
_database_code_amcsd             0019537
_exptl_crystal_density_diffrn    1.919
_cod_original_sg_symbol_H-M      'R 3 c'
_cod_original_formula_sum        'Mg2 C O7 Cl H7'
_cod_database_code               9015142
Crystal structure of schüllerite, a new mineral of the heterophyllosilicate family
Rastsvetaeva, R. K.; Aksenov, S.; Chukanov, N.; Doklady Chemistry 437 (2011) 90–94; doi:10.1134/S0012500811040045

data_9015143
_publ_section_title
;
 Crystal structure of sch\"ullerite,
 a new mineral of the heterophyllosilicate family
;
_journal_name_full               'Doklady Chemistry'
_journal_page_first              90
_journal_page_last               94
_journal_paper_doi               10.1134/S0012500811040045
_journal_volume                  437
_journal_year                    2011
_chemical_compound_source        'the Eifel volcanic area, Germany'
_chemical_formula_sum
'Al0.2 Ba1.6 Ca0.4 F Fe1.4 K0.1 Mg0.9 Mn0.5 Na1.1 Nb0.2 O17 Si4 Sr0.3 Ti1.3'
_chemical_name_mineral           Schullerite
_space_group_IT_number           1
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_cell_angle_alpha                99.816
_cell_angle_beta                 99.624
_cell_angle_gamma                90.085
_cell_formula_units_Z            1
_cell_length_a                   5.4027
_cell_length_b                   7.0656
_cell_length_c                   10.2178
_cell_volume                     378.747
_database_code_amcsd             0019755
_exptl_crystal_density_diffrn    3.982
_cod_original_formula_sum
'Ba1.6 Sr.3 K.1 Ti1.3 Nb.2 Fe1.4 Al.2 Mg.9 Na1.1 Mn.5 Ca.4 Si4 O17 F'
_cod_database_code               9015143
Arsenoflorencite-(La), a new mineral from the Komi Republic, Russian Federation: description and crystal structure
Mills, S. J.; Kartashov, P. M.; Kampf, A. R.; Raudsepp, M.; European Journal of Mineralogy 22 (2010) 613–621; doi:10.1127/0935-1221/2010/0022-2043

data_9015144
_publ_section_title
;
 Arsenoflorencite-(La), a new mineral from the Komi Republic, Russian Federation:
 description and crystal structure
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              613
_journal_page_last               621
_journal_paper_doi               10.1127/0935-1221/2010/0022-2043
_journal_volume                  22
_journal_year                    2010
_chemical_compound_source
'Grubependity Lake cirque, Prepolar Ural, Komi Republic, Russia'
_chemical_formula_sum            'Al3 As2 H6 La O14'
_chemical_name_mineral           Arsenoflorencite-(La)
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   7.0316
_cell_length_b                   7.0316
_cell_length_c                   16.5151
_cell_formula_units_Z            3
_cell_volume                     707.164
_database_code_amcsd             0017090
_exptl_crystal_density_diffrn    4.225
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'La Al3 As2 O14 H6'
_cod_database_code               9015144
Structure cristalline du tetrametaphosphate de nickelammonium heptahydrate: Ni (N H4)2 P4 O12 (H2 O)7 _cod_database_code 1007154
Jouini, A.; Dabbabi, M.; Durif, A.; Journal of Solid State Chemistry 60 (1985) 6–12; doi:10.1016/0022-4596(85)90157-4

data_9015145
_publ_section_title
;
 Structure cristalline du tetrametaphosphate de nickelammonium
 heptahydrate: Ni (N H4)2 P4 O12 (H2 O)7
 _cod_database_code 1007154
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              6
_journal_page_last               12
_journal_paper_doi               10.1016/0022-4596(85)90157-4
_journal_volume                  60
_journal_year                    1985
_chemical_formula_sum            'N2 Ni O19 P4'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                98.05
_cell_angle_beta                 97.25
_cell_angle_gamma                103.01
_cell_length_a                   13.841
_cell_length_b                   9.621
_cell_length_c                   7.482
_cell_formula_units_Z            2
_cell_volume                     948.261
_database_code_amcsd             0013557
_exptl_crystal_density_diffrn    1.802
_cod_duplicate_entry             1007154
_cod_original_formula_sum        'Ni P4 N2 O19'
_cod_database_code               9015145
_amcsd_formula_title             'H22 N2 Ni O19 P4'
A neutron diffraction study of the anion-excess cubic ReO3-type derived phase Fe.8Zr.2F3.2 _cod_database_code 1008534
Ruchaud, N.; Grannec, J.; Hagenmuller, P.; Soubeyroux, J.; Journal of Alloys and Compounds 183 (1992) 263–270; doi:

data_9015146
_publ_section_title
;
 A neutron diffraction study of the anion-excess cubic ReO3-type
 derived phase Fe.8Zr.2F3.2
 _cod_database_code 1008534
;
_journal_name_full               'Journal of Alloys and Compounds'
_journal_page_first              263
_journal_page_last               270
_journal_volume                  183
_journal_year                    1992
_chemical_formula_sum            'F1.6 Fe0.4 Zr0.1'
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.6827
_cell_length_b                   7.6827
_cell_length_c                   7.6827
_cell_formula_units_Z            48
_cell_volume                     453.463
_database_code_amcsd             0016427
_exptl_crystal_density_diffrn    10.874
_cod_duplicate_entry             1008534
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_original_formula_sum        'Fe.4 Zr.1 F1.6'
_cod_database_code               9015146
_amcsd_formula_title             'F3.2 Fe0.8 Zr0.2'
Ueber die Struktur von Adamin. _cod_database_code 1010925
Kokkoros, P.; Zeitschrift fur Kristallographie 96 (1937) 417–434; doi:

data_9015147
_publ_section_title
;
 Ueber die Struktur von Adamin.
 _cod_database_code 1010925
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              417
_journal_page_last               434
_journal_volume                  96
_journal_year                    1937
_chemical_formula_sum            'As O5 Zn2'
_chemical_name_mineral           Adamite
_space_group_IT_number           58
_symmetry_space_group_name_Hall  '-P 2 2n'
_symmetry_space_group_name_H-M   'P n n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.31
_cell_length_b                   8.51
_cell_length_c                   6.06
_cell_formula_units_Z            4
_cell_volume                     428.552
_database_code_amcsd             0017648
_exptl_crystal_density_diffrn    4.428
_cod_duplicate_entry             1010925
_cod_original_formula_sum        'As Zn2 O5'
_cod_database_code               9015147
A new series of oxygen-deficient perovskites in the NaTixNb1-xO3-.05x system: synthesis, crystal chemistry, and energetics Note: x = 0.15
Xu, H.; Su, Y.; Balmer, M. L.; Navrotsky, A.; Chemistry of Materials 15 (2003) 1872–1878; doi:10.1021/cm020963s

data_9015148
_publ_section_title
;
 A new series of oxygen-deficient perovskites in the NaTixNb1-xO3-.05x
 system: synthesis, crystal chemistry, and energetics
 Note: x = 0.15
;
_journal_name_full               'Chemistry of Materials'
_journal_page_first              1872
_journal_page_last               1878
_journal_paper_doi               10.1021/cm020963s
_journal_volume                  15
_journal_year                    2003
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Na Nb0.85 O2.925 Ti0.15'
_chemical_name_mineral           Lueshite
_space_group_IT_number           57
_symmetry_space_group_name_Hall  '-P 2a 2ab'
_symmetry_space_group_name_H-M   'P b m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.5396
_cell_length_b                   15.5705
_cell_length_c                   5.5087
_cell_formula_units_Z            8
_cell_volume                     475.149
_database_code_amcsd             0018690
_exptl_crystal_density_diffrn    4.360
_cod_original_formula_sum        'Na (Nb.85 Ti.15) O2.925'
_cod_database_code               9015148
Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 337 C Note: P = 101 kPa
Antao, S. M.; Hassan, I.; The Canadian Mineralogist 48 (2010) 1225–1236; doi:10.3749/canmin.48.5.1225

data_9015149
_publ_section_title
;
 Temperature dependence of the structural parameters
 in the transformation of aragonite to calcite,
 as determined from in situ synchrotron powder X-ray-diffraction data
 Note: T = 337 C
 Note: P = 101 kPa
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1225
_journal_page_last               1236
_journal_paper_doi               10.3749/canmin.48.5.1225
_journal_volume                  48
_journal_year                    2010
_chemical_compound_source        'Cuenca, Spain'
_chemical_formula_sum            'C Ca O3'
_chemical_name_mineral           Aragonite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2n 2a'
_symmetry_space_group_name_H-M   'P m c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.9703
_cell_length_b                   8.0272
_cell_length_c                   5.8087
_cell_formula_units_Z            4
_cell_volume                     231.753
_database_code_amcsd             0017841
_exptl_crystal_density_diffrn    2.869
_cod_original_formula_sum        'Ca C O3'
_cod_database_code               9015149
The effect of fO2 on the partitioning and valence of V and Cr in garnet/melt pairs and the relation to terrestrial mantle V and Cr content Note: R090044
Righter, K.; Sutton, S.; Danielson, L.; Pando, K.; Schmidt, G.; Yang, H.; Berthet, S.; Newville, M.; Choi, Y.; Downs, R. T.; Malavergne, V.; American Mineralogist 96 (2011) 1278–1290; doi:10.2138/am.2011.3690

data_9015150
_publ_section_title
;
 The effect of fO2 on the partitioning and valence of V and Cr in garnet/melt
 pairs and the relation to terrestrial mantle V and Cr content
 Note: R090044
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1278
_journal_page_last               1290
_journal_paper_doi               10.2138/am.2011.3690
_journal_volume                  96
_journal_year                    2011
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ca2.862 O12 Si3 V1.902'
_chemical_name_mineral           Goldmanite
_space_group_IT_number           230
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   12.089
_cell_length_b                   12.089
_cell_length_c                   12.089
_cell_formula_units_Z            8
_cell_volume                     1766.734
_database_code_amcsd             0018454
_exptl_crystal_density_diffrn    3.668
_cod_original_sg_symbol_H-M      'I a 3 d'
_cod_original_formula_sum        'Ca2.862 V1.902 Si3 O12'
_cod_database_code               9015150
Arrojadite: variations in space group and composition based on four new refinements Sample: arropala
Steele, I. M.; General Meeting of the International Mineralogical Association 18 (2002) MO2–117; doi:

data_9015151
_publ_section_title
;
 Arrojadite: variations in space group and composition
 based on four new refinements
 Sample: arropala
;
_journal_name_full
'General Meeting of the International Mineralogical Association'
_journal_page_first              MO2
_journal_page_last               117
_journal_volume                  18
_journal_year                    2002
_chemical_compound_source
'Palermo No. 1 mine, Groton, New Hampshire, USA'
_chemical_formula_sum
'Al Ba0.06 Ca0.23 Fe11.69 K0.68 Mg1.85 Na4.459 O50 P12 Sr0.23'
_chemical_name_mineral           Arrojadite-(KNa)
_space_group_IT_number           9
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 105.943
_cell_angle_gamma                90.00
_cell_length_a                   16.531
_cell_length_b                   10.0040
_cell_length_c                   24.644
_cell_formula_units_Z            4
_cell_volume                     3918.766
_database_code_amcsd             0012658
_exptl_crystal_density_diffrn    3.497
_cod_original_cell_volume        3918.765
_cod_original_sg_symbol_H-M      'C c'
_cod_original_formula_sum
'Al Sr.23 Ca.23 Fe11.69 Ba.06 K.68 Na4.459 Mg1.85 P12 O50'
_cod_database_code               9015151
Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 275 C Note: P = 101 kPa
Antao, S. M.; Hassan, I.; The Canadian Mineralogist 48 (2010) 1225–1236; doi:10.3749/canmin.48.5.1225

data_9015152
_publ_section_title
;
 Temperature dependence of the structural parameters
 in the transformation of aragonite to calcite,
 as determined from in situ synchrotron powder X-ray-diffraction data
 Note: T = 275 C
 Note: P = 101 kPa
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1225
_journal_page_last               1236
_journal_paper_doi               10.3749/canmin.48.5.1225
_journal_volume                  48
_journal_year                    2010
_chemical_compound_source        'Cuenca, Spain'
_chemical_formula_sum            'C Ca O3'
_chemical_name_mineral           Aragonite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2n 2a'
_symmetry_space_group_name_H-M   'P m c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.9672
_cell_length_b                   8.0157
_cell_length_c                   5.7938
_cell_formula_units_Z            4
_cell_volume                     230.684
_database_code_amcsd             0017838
_exptl_crystal_density_diffrn    2.882
_cod_original_formula_sum        'Ca C O3'
_cod_database_code               9015152
Crystal structure of decasodium di-mue-phosphidobis(diphosphidostannate(IV)) _cod_database_code 1008463
Eisenmann, B.; Klein, J.; Somer, M.; Zeitschrift fur Kristallographie 197 (1991) 269–270; doi:

data_9015153
_publ_section_title
;
 Crystal structure of decasodium di-mue-phosphidobis(diphosphidostannate(IV))
 _cod_database_code 1008463
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              269
_journal_page_last               270
_journal_volume                  197
_journal_year                    1991
_chemical_formula_sum            'Na5 P3 Sn'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.
_cell_angle_beta                 90.2
_cell_angle_gamma                90.
_cell_length_a                   13.400
_cell_length_b                   7.456
_cell_length_c                   8.289
_cell_formula_units_Z            4
_cell_volume                     828.152
_database_code_amcsd             0016367
_exptl_crystal_density_diffrn    2.619
_cod_duplicate_entry             1008463
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'Sn P3 Na5'
_cod_database_code               9015153
_amcsd_formula_title             'Na10 P6 Sn2'
Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M605, P = 26.55 GPa, T = 1273 K
Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y.; American Mineralogist 97 (2012) 1417–1420; doi:10.2138/am.2012.3958

data_9015154
_publ_section_title
;
 Isothermal compression of face-centered cubic iron
 Note: gamma iron, Sample M605, P = 26.55 GPa, T = 1273 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1417
_journal_page_last               1420
_journal_paper_doi               10.2138/am.2012.3958
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        Synthetic
_chemical_formula_sum            Fe
_chemical_name_mineral           Iron
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.473
_cell_length_b                   3.473
_cell_length_c                   3.473
_cell_formula_units_Z            4
_cell_volume                     41.890
_database_code_amcsd             0019425
_exptl_crystal_density_diffrn    8.855
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               9015154
_cod_duplicate_entry 9014851
Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim20_q2, treated at 600 C for 20 min
Zema, M.; Tarantino, S. C.; Giorgiani, A.; Mineralogical Magazine 70 (2006) 319–328; doi:10.1180/0026461067030335

data_9015155
_publ_section_title
;
 Structural changes induced by cation ordering in ferrotapiolite
 Note: Crystal Kim20_q2, treated at 600 C for 20 min
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              319
_journal_page_last               328
_journal_paper_doi               10.1180/0026461067030335
_journal_volume                  70
_journal_year                    2006
_chemical_compound_source        'Kimito, Finland'
_chemical_formula_sum            'Fe1.001 Nb0.13 O6 Ta1.871'
_chemical_name_mineral           Tapiolite-(Fe)
_space_group_IT_number           136
_symmetry_space_group_name_Hall  '-P 4n 2n'
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.7516
_cell_length_b                   4.7516
_cell_length_c                   9.2856
_cell_formula_units_Z            2
_cell_volume                     209.648
_database_code_amcsd             0018714
_exptl_crystal_density_diffrn    7.961
_cod_original_cell_volume        209.647
_cod_original_formula_sum        'Fe1.001 Ta1.871 Nb.13 O6'
_cod_database_code               9015155