LMucko/crystallography-open-database huggingface dataset:
Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition Note: run P25, P = 54.0 GPa
Lavina, B.; Dera, P.; Downs, R. T.; Yang, W.; Sinogeikin, S.; Meng, Y.; Shen, G.; Schiferl, D.; Physical Review B 82 (2010) 064110–064118; doi:10.1103/PhysRevB.82.064110

data_9015056
_publ_section_title
;
 Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition
 Note: run P25, P = 54.0 GPa
;
_journal_name_full               'Physical Review B'
_journal_page_first              064110
_journal_page_last               064118
_journal_paper_doi               10.1103/PhysRevB.82.064110
_journal_volume                  82
_journal_year                    2010
_chemical_compound_source        'Invigtut, Greenland'
_chemical_formula_sum            'C Fe O3'
_chemical_name_mineral           Siderite
_space_group_IT_number           167
_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_length_a                   4.355
_cell_length_b                   4.355
_cell_length_c                   12.54
_cell_formula_units_Z            6
_cell_volume                     205.970
_database_code_amcsd             0017587
_exptl_crystal_density_diffrn    5.604
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        'Fe C O3'
_cod_database_code               9015056
Structure cristalline du trimetaphosphate d'argent monohydrate, Ag3P3O9H2O
Bagieu-Beucher M; Durif, A.; Guitel, J. C.; Acta Crystallographica, Section B 31 (1975) 2264–2267; doi:10.1107/S0567740875007364

data_9015057
_publ_section_title
;
 Structure cristalline du trimetaphosphate d'argent monohydrate, Ag3P3O9H2O
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2264
_journal_page_last               2267
_journal_paper_doi               10.1107/S0567740875007364
_journal_volume                  31
_journal_year                    1975
_chemical_formula_sum            'Ag3 O10 P3'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                115.15
_cell_angle_beta                 115.15
_cell_angle_gamma                88.93
_cell_length_a                   7.800
_cell_length_b                   7.796
_cell_length_c                   9.276
_cell_formula_units_Z            2
_cell_volume                     453.067
_database_code_amcsd             0009541
_exptl_crystal_density_diffrn    4.226
_cod_duplicate_entry             1007026
_cod_original_formula_sum        'Ag3 P3 O10'
_cod_database_code               9015057
_amcsd_formula_title             'Ag3 H2 O10 P3'
Rietveld refinement of two fluoro-hydroxy-zircons
Valéro, R.; Paillaud, J. L.; Durand, B.; Guth, J. L.; Chopin, T.; European Journal of Solid State and Inorganic Chemistry 35 (1998) 735–743; doi:10.1016/S0992-4361(99)80013-7

data_9015058
_publ_section_title
;
 Rietveld refinement of two fluoro-hydroxy-zircons
;
_journal_coden_ASTM              EJSCE5
_journal_issue                   10-11
_journal_name_full
;
 European Journal of Solid State and Inorganic Chemistry
;
_journal_page_first              735
_journal_page_last               743
_journal_paper_doi               10.1016/S0992-4361(99)80013-7
_journal_volume                  35
_journal_year                    1998
_chemical_formula_sum            'F1.8 O2.2 Si0.206 Zr'
_space_group_IT_number           141
_symmetry_space_group_name_Hall  '-I 4bd 2'
_symmetry_space_group_name_H-M   'I 41/a m d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.64821(2)
_cell_length_b                   6.64821(2)
_cell_length_c                   5.90758(4)
_cell_volume                     261.107
_database_code_amcsd             0012625
_exptl_crystal_density_diffrn    4.233
_cod_duplicate_entry             1004027
_cod_original_sg_symbol_H-M      'I 41/a m d'
_cod_original_formula_sum        'Zr Si.206 (O2.2 F1.8)'
_cod_database_code               9015058
_amcsd_formula_title             'F1.8 H1.376 O2.2 Si0.206 Zr'
The structure of schwertmannite, a nanocrystalline iron oxyhydroxysulfate Note: Model 1, positions of sulfate groups not determined
Fernandez-Martinez A; Timon, V.; Roman-Ross G; Cuello, G. J.; Daniels, J. E.; Ayora, C.; American Mineralogist 95 (2010) 1312–1322; doi:10.2138/am.2010.3446

data_9015059
_publ_section_title
;
 The structure of schwertmannite, a nanocrystalline iron oxyhydroxysulfate
 Note: Model 1, positions of sulfate groups not determined
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1312
_journal_page_last               1322
_journal_paper_doi               10.2138/am.2010.3446
_journal_volume                  95
_journal_year                    2010
_chemical_compound_source
'Monte Romero mine (Iberian Pyrite Belt), Spain'
_chemical_formula_sum            'Fe O2'
_chemical_name_mineral           Schwertmannite
_space_group_IT_number           1
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_cell_angle_alpha                90.0
_cell_angle_beta                 92.6
_cell_angle_gamma                90.0
_cell_formula_units_Z            16
_cell_length_a                   10.821
_cell_length_b                   6.002
_cell_length_c                   10.514
_cell_volume                     682.157
_database_code_amcsd             0018670
_exptl_crystal_density_diffrn    3.421
_cod_database_code               9015059
Sur l'evolution thermique des pyrochlores d'hydroxonium et d'ammonium H3 O M W O6, H4 O M2 O6 et N H4 M W O6 (M=Nb, Ta) _cod_database_code 1001035
Groult, D.; Michel, C.; Raveau, B.; Journal of Inorganic and Nuclear Chemistry 36 (1974) 61–66; doi:10.1016/0022-1902(74)80658-5

data_9015060
_publ_section_title
;
 Sur l'evolution thermique des pyrochlores d'hydroxonium et d'ammonium
 H3 O M W O6, H4 O M2 O6 et N H4 M W O6 (M=Nb, Ta)
 _cod_database_code 1001035
;
_journal_name_full               'Journal of Inorganic and Nuclear Chemistry'
_journal_page_first              61
_journal_page_last               66
_journal_paper_doi               10.1016/0022-1902(74)80658-5
_journal_volume                  36
_journal_year                    1974
_chemical_formula_sum            'Nb O6.07 W'
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.355
_cell_length_b                   10.355
_cell_length_c                   10.355
_cell_formula_units_Z            8
_cell_volume                     1110.325
_database_code_amcsd             0013033
_exptl_crystal_density_diffrn    4.473
_cod_duplicate_entry             1001035
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Nb W) O6.07'
_cod_database_code               9015060
_amcsd_formula_title             'H1.1 Nb O6.05 W'
The crystal chemistry of As- and Sb-bearing dumortierite Sample: D67
Groat, L. A.; Evans, R. J.; Grew, E. S.; Pieczka, A.; The Canadian Mineralogist 50 (2012) 855–872; doi:10.3749/canmin.50.4.855

data_9015061
_publ_section_title
;
 The crystal chemistry of As- and Sb-bearing dumortierite
 Sample: D67
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              855
_journal_page_last               872
_journal_paper_doi               10.3749/canmin.50.4.855
_journal_volume                  50
_journal_year                    2012
_chemical_compound_source
'the Larsemann Hills, Prydz Bay, Princess Elizabeth Land, East Antarctica'
_chemical_formula_sum            'Al6.79 B O18 Si3'
_chemical_name_mineral           Dumortierite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.6995
_cell_length_b                   11.7790
_cell_length_c                   20.1671
_cell_formula_units_Z            4
_cell_volume                     1116.358
_database_code_amcsd             0019562
_exptl_crystal_density_diffrn    3.369
_cod_original_formula_sum        'Al6.79 Si3 B O18'
_cod_database_code               9015061
Description and crystal structure of maghrebite, MgAl2(AsO4)2(OH)2*8H2O, from Aghbar, Anti-Atlas, Morocco: first arsenate in the laueite mineral group
Meisser, N.; Brugger, J.; Krivovichev, S.; Armbruster, T.; Favreau, G.; European Journal of Mineralogy 24 (2012) 717–726; doi:10.1127/0935-1221/2012/0024-2172

data_9015062
_publ_section_title
;
 Description and crystal structure of maghrebite, MgAl2(AsO4)2(OH)2*8H2O,
 from Aghbar, Anti-Atlas, Morocco: first arsenate in the laueite mineral group
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              717
_journal_page_last               726
_journal_paper_doi               10.1127/0935-1221/2012/0024-2172
_journal_volume                  24
_journal_year                    2012
_chemical_compound_source        'Aghbar, Anti-Atlas, Morocco'
_chemical_formula_sum            'Al2 As2 H18 Mg O18'
_chemical_name_mineral           Maghrebite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                97.701
_cell_angle_beta                 110.295
_cell_angle_gamma                102.021
_cell_formula_units_Z            1
_cell_length_a                   5.4363
_cell_length_b                   10.500
_cell_length_c                   7.075
_cell_volume                     360.987
_database_code_amcsd             0019348
_exptl_crystal_density_diffrn    2.458
_cod_original_formula_sum        'Mg Al2 As2 O18 H18'
_cod_database_code               9015062
Lead-antimony sulfosalts from Tuscany (Italy). XII. Boscardinite, TiPb4(Sb7As2)S9S18, a new mineral species from the Monte Arsiccio mine: Occurrence and crystal structure Monte Arsiccio, near Sant'Anna di Stazzema, Apuan Alps, Tuscany, Italy
Orlandi, P.; Biagioni, C.; Bonaccorsi, E.; Moelo, Y.; Paar, W. H.; The Canadian Mineralogist 50 (2012) 235–251; doi:10.3749/canmin.50.2.235

data_9015063
_publ_section_title
;
 Lead-antimony sulfosalts from Tuscany (Italy). XII. Boscardinite,
 TiPb4(Sb7As2)S9S18, a new mineral species from the Monte Arsiccio mine:
 Occurrence and crystal structure
 Monte Arsiccio, near Sant'Anna di Stazzema, Apuan Alps, Tuscany, Italy
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              235
_journal_page_last               251
_journal_paper_doi               10.3749/canmin.50.2.235
_journal_volume                  50
_journal_year                    2012
_chemical_compound_source        'barite-pyrite-iron oxides deposit of'
_chemical_formula_sum            'Ag0.29 As1.73 Pb2.956 S18 Sb7.794 Tl1.23'
_chemical_name_mineral           Boscardinite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                90.868
_cell_angle_beta                 97.247
_cell_angle_gamma                90.793
_cell_length_a                   8.0929
_cell_length_b                   8.7610
_cell_length_c                   22.497
_cell_formula_units_Z            2
_cell_volume                     1581.957
_database_code_amcsd             0019212
_exptl_crystal_density_diffrn    5.355
_cod_original_formula_sum        'Ag.29 Tl1.23 Pb2.956 Sb7.794 As1.73 S18'
_cod_database_code               9015063
RbAlF4: Structure of Its beta Metastable Form and Description of the Mechanism of Its Irreversible and Topotactic Phase Transition beta to alpha
Fourquet, J. L.; Plet, F.; de Pape, R.; Acta Crystallographica, Section B 36 (1980) 1997–2000; doi:10.1107/S0567740880007790

data_9015064
_publ_section_title
;
 RbAlF4: Structure of Its beta Metastable Form and Description of
 the Mechanism of Its Irreversible and Topotactic Phase Transition
 beta to alpha
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              1997
_journal_page_last               2000
_journal_paper_doi               10.1107/S0567740880007790
_journal_volume                  36
_journal_year                    1980
_chemical_formula_sum            'Al5 F20 Rb5'
_space_group_IT_number           120
_symmetry_space_group_name_Hall  'I -4 -2c'
_symmetry_space_group_name_H-M   'I -4 c 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.666
_cell_length_b                   11.666
_cell_length_c                   12.551
_cell_formula_units_Z            4
_cell_volume                     1708.135
_database_code_amcsd             0009714
_exptl_crystal_density_diffrn    3.664
_cod_duplicate_entry             1000175
_cod_original_formula_sum        'Rb5 Al5 F20'
_cod_database_code               9015064
_amcsd_formula_title             RbAlF4
Crystal structure and isothermal compression of Fe2O3, Cr2O3, and V2O3 to 50 kbars Note: P = 15.4 kbar
Finger, L. W.; Hazen, R. M.; Journal of Applied Physics 51 (1980) 5362–5367; doi:10.1063/1.327451

data_9015065
_publ_section_title
;
 Crystal structure and isothermal compression of Fe2O3, Cr2O3, and V2O3 to 50 kbars
 Note: P = 15.4 kbar
;
_journal_name_full               'Journal of Applied Physics'
_journal_page_first              5362
_journal_page_last               5367
_journal_paper_doi               10.1063/1.327451
_journal_volume                  51
_journal_year                    1980
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe2 O3'
_chemical_name_mineral           Hematite
_space_group_IT_number           167
_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_length_a                   5.0249
_cell_length_b                   5.0249
_cell_length_c                   13.7163
_cell_formula_units_Z            6
_cell_volume                     299.932
_database_code_amcsd             0017732
_exptl_crystal_density_diffrn    5.305
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_database_code               9015065
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 = 556 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_9015066
_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 = 556 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           Calcite
_space_group_IT_number           167
_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_length_a                   4.9769
_cell_length_b                   4.9769
_cell_length_c                   17.3479
_cell_formula_units_Z            6
_cell_volume                     372.131
_database_code_amcsd             0017862
_exptl_crystal_density_diffrn    2.680
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        'Ca C O3'
_cod_database_code               9015066
Fluor-elbaite, Na(Li1.5Al1.5)Al6(Si6O18)(BO3)3(OH)3F, a new mineral species of the tourmaline supergroup Note: standard SREF
Bosi, F.; Andreozzi, G. B.; Skogby, H.; Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; American Mineralogist 98 (2013) 297–303; doi:10.2138/am.2013.4285

data_9015067
_publ_section_title
;
 Fluor-elbaite, Na(Li1.5Al1.5)Al6(Si6O18)(BO3)3(OH)3F, a new mineral species
 of the tourmaline supergroup
 Note: standard SREF
;
_journal_name_full               'American Mineralogist'
_journal_page_first              297
_journal_page_last               303
_journal_paper_doi               10.2138/am.2013.4285
_journal_volume                  98
_journal_year                    2013
_chemical_compound_source        'Urubu mine, Minas Gerais, Brazil'
_chemical_formula_sum
'Al21.6 B9 Ca0.06 F2.1 Fe2.727 H17.57 Li2.223 Mn0.27 Na2.49 O90.9 Si18 Zn0.18'
_chemical_name_mineral           Fluor-elbaite
_space_group_IT_number           160
_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_formula_units_Z            1
_cell_length_a                   15.9083
_cell_length_b                   15.9083
_cell_length_c                   7.1229
_cell_volume                     1561.115
_database_code_amcsd             0019775
_exptl_crystal_density_diffrn    3.140
_cod_original_cell_volume        1561.116
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_original_formula_sum
'Na2.49 Ca.06 Li2.223 Mn.27 Fe2.727 Al21.6 Zn.18 Si18 B9 F2.1 O90.9 H17.57'
_cod_database_code               9015067
Crystal structure of low chalcocite
Evans, H. T.; Nature Physical Science 232 (1971) 69–70; doi:10.1038/physci232069a0

data_9015068
_publ_section_title
;
 Crystal structure of low chalcocite
;
_journal_name_full               'Nature Physical Science'
_journal_page_first              69
_journal_page_last               70
_journal_paper_doi               10.1038/physci232069a0
_journal_volume                  232
_journal_year                    1971
_chemical_compound_source        'Bristol, Connecticut, USA'
_chemical_formula_sum            'Cu2 S'
_chemical_name_mineral           Chalcocite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 116.35
_cell_angle_gamma                90
_cell_length_a                   15.246
_cell_length_b                   11.884
_cell_length_c                   13.494
_cell_formula_units_Z            48
_cell_volume                     2190.864
_database_code_amcsd             0019202
_exptl_crystal_density_diffrn    5.790
_cod_original_cell_volume        2190.865
_cod_database_code               9015068
Structural and conductivity properties of Bi(0.775) Ln(0.225) O1.5 oxide conductors (Ln = La, Pr, Nd, Sm, Eu, Gd, Tb, Dy) with rhombohedral Bi-Sr-O type _cod_database_code 1004136
Drache, M.; Obbade, S.; Wignacourt, J.; Conflant, P.; Journal of Solid State Chemistry 142 (1999) 349–359; doi:10.1006/jssc.1998.8043

data_9015069
_publ_section_title
;
 Structural and conductivity properties of Bi(0.775) Ln(0.225) O1.5
 oxide conductors (Ln = La, Pr, Nd, Sm, Eu, Gd, Tb, Dy) with
 rhombohedral Bi-Sr-O type
 _cod_database_code 1004136
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              349
_journal_page_last               359
_journal_paper_doi               10.1006/jssc.1998.8043
_journal_volume                  142
_journal_year                    1999
_chemical_formula_sum            'Bi2.325 O4.5 Pr0.675'
_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                   3.9975
_cell_length_b                   3.9975
_cell_length_c                   27.50899
_cell_formula_units_Z            3
_cell_volume                     380.699
_database_code_amcsd             0013960
_exptl_crystal_density_diffrn    8.545
_cod_duplicate_entry             1004136
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'Bi2.325 Pr.675 O4.5'
_cod_database_code               9015069
_amcsd_formula_title             'Bi0.775 O1.5 Pr0.225'
Spin-1/2 quantum antiferromagnetic chains with tunable superexchange interactions found in BaCu2(Si1-xGex)2O7
Yamada, T.; Hiroi, Z.; Takano, M.; Journal of Solid State Chemistry 156 (2001) 101–109; doi:10.1006/jssc.2000.8968

data_9015070
_publ_section_title
;
 Spin-1/2 quantum antiferromagnetic chains with tunable superexchange
 interactions found in BaCu2(Si1-xGex)2O7
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              101
_journal_page_last               109
_journal_paper_doi               10.1006/jssc.2000.8968
_journal_volume                  156
_journal_year                    2001
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ba Cu2 Ge2 O7'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.04765
_cell_length_b                   13.40700
_cell_length_c                   7.02755
_cell_formula_units_Z            4
_cell_volume                     664.018
_database_code_amcsd             0018762
_exptl_crystal_density_diffrn    5.218
_cod_database_code               9015070
_amcsd_formula_title             BaCu2Ge2O7
Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M622, P = 4.73 GPa, T = 1073 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_9015071
_publ_section_title
;
 Isothermal compression of face-centered cubic iron
 Note: gamma iron, Sample M622, P = 4.73 GPa, T = 1073 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                   3.595
_cell_length_b                   3.595
_cell_length_c                   3.595
_cell_formula_units_Z            4
_cell_volume                     46.462
_database_code_amcsd             0019448
_exptl_crystal_density_diffrn    7.984
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               9015071
_cod_duplicate_entry 9014476