LMucko/crystallography-open-database huggingface dataset:
Neutron diffraction study of the layered cuprate Sr2-xNd1+xCu2O6-y _cod_database_code 1001459
Caignaert, V.; Retoux, R.; Michel, C.; Hervieu, M.; Raveau, B.; Physica C 167 (1990) 483–490; doi:

data_9015190
_publ_section_title
;
 Neutron diffraction study of the layered cuprate Sr2-xNd1+xCu2O6-y
 _cod_database_code 1001459
;
_journal_name_full               'Physica C'
_journal_page_first              483
_journal_page_last               490
_journal_volume                  167
_journal_year                    1990
_chemical_formula_sum            'Cu6 Nd3 O17.28 Sr6'
_space_group_IT_number           71
_symmetry_space_group_name_Hall  '-I 2 2'
_symmetry_space_group_name_H-M   'I m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.7701
_cell_length_b                   11.4381
_cell_length_c                   20.0938
_cell_formula_units_Z            2
_cell_volume                     866.501
_database_code_amcsd             0015019
_exptl_crystal_density_diffrn    6.194
_cod_duplicate_entry             1001459
_cod_original_cell_volume        866.500
_cod_original_formula_sum        'Nd3 Sr6 Cu6 O17.28'
_cod_database_code               9015190
_amcsd_formula_title             'Cu2 Nd O5.76 Sr2'
High-pressure and high-temperature crystal chemistry of beryllium oxide Note: Crystal no. 2 in cell
Hazen, R. M.; Finger, L. W.; Journal of Applied Physics 59 (1986) 3728–3733; doi:10.1063/1.336756

data_9015191
_publ_section_title
;
 High-pressure and high-temperature crystal chemistry of beryllium oxide
 Note: Crystal no. 2 in cell
;
_journal_name_full               'Journal of Applied Physics'
_journal_page_first              3728
_journal_page_last               3733
_journal_paper_doi               10.1063/1.336756
_journal_volume                  59
_journal_year                    1986
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Be O'
_chemical_name_mineral           Bromellite
_space_group_IT_number           186
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   2.6983
_cell_length_b                   2.6983
_cell_length_c                   4.3776
_cell_formula_units_Z            2
_cell_volume                     27.602
_database_code_amcsd             0019179
_exptl_crystal_density_diffrn    3.009
_cod_database_code               9015191
Rietveld refinement of site-occupancy parameters of Mg2-xMnxSiO4 using a new weight function in least-squares fitting Note: e = 1
Yamazaki, S.; Toraya, H.; Journal of Applied Crystallography 32 (1999) 51–59; doi:10.1107/S0021889898010206

data_9015192
_publ_section_title
;
 Rietveld refinement of site-occupancy parameters of Mg2-xMnxSiO4
 using a new weight function in least-squares fitting
 Note: e = 1
;
_journal_name_full               'Journal of Applied Crystallography'
_journal_page_first              51
_journal_page_last               59
_journal_paper_doi               10.1107/S0021889898010206
_journal_volume                  32
_journal_year                    1999
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Mg Mn O4 Si'
_chemical_name_mineral           Tephroite
_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                   10.45100
_cell_length_b                   6.12446
_cell_length_c                   4.80757
_cell_formula_units_Z            4
_cell_volume                     307.717
_database_code_amcsd             0019687
_exptl_crystal_density_diffrn    3.698
_cod_original_formula_sum        '(Mg Mn) Si O4'
_cod_database_code               9015192
Highly ordered distribution of the interpolated univalent cations in monophosphates with the alpha-(K2 Mo2 O3 (P O4)2) structure _cod_database_code 1001726
Guesdon, A.; Leclaire, A.; Borel, M.; Raveau, B.; European Journal of Solid State and Inorganic Chemistry 33 (1996) 385–396; doi:

data_9015193
_publ_section_title
;
 Highly ordered distribution of the interpolated univalent cations in
 monophosphates with the alpha-(K2 Mo2 O3 (P O4)2) structure
 _cod_database_code 1001726
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              385
_journal_page_last               396
_journal_volume                  33
_journal_year                    1996
_chemical_formula_sum            'Cs3 K0.85 Mo4 O22 P4'
_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                 99.48
_cell_angle_gamma                90
_cell_length_a                   10.159
_cell_length_b                   10.103
_cell_length_c                   10.003
_cell_formula_units_Z            2
_cell_volume                     1012.651
_database_code_amcsd             0012601
_exptl_crystal_density_diffrn    4.236
_cod_duplicate_entry             1001726
_cod_original_formula_sum        'Mo4 P4 K.85 Cs3 O22'
_cod_database_code               9015193
_amcsd_formula_title             'Cs1.5 K0.425 Mo2 O11 P2'
Second-order P6c2-P31c transition and structural crystallography of the cyclosilicate benitoite, BaTiSi3O9, at high pressure Note: P = 4.28 GPa
Hejny, C.; Miletich, R.; Jasser, A.; Schouwink, P.; Crichton, W.; Kahlenberg, V.; American Mineralogist 97 (2012) 1749–1763; doi:10.2138/am.2012.4175

data_9015194
_publ_section_title
;
 Second-order P6c2-P31c transition and structural crystallography of
 the cyclosilicate benitoite, BaTiSi3O9, at high pressure
 Note: P = 4.28 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1749
_journal_page_last               1763
_journal_paper_doi               10.2138/am.2012.4175
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        'San Benito, California, USA'
_chemical_formula_sum            'Ba O9 Si3 Ti'
_chemical_name_mineral           Benitoite
_space_group_IT_number           188
_symmetry_space_group_name_Hall  'P -6c 2'
_symmetry_space_group_name_H-M   'P -6 c 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   6.5518
_cell_length_b                   6.5518
_cell_length_c                   9.6503
_cell_formula_units_Z            2
_cell_volume                     358.751
_database_code_amcsd             0019511
_exptl_crystal_density_diffrn    3.828
_cod_original_formula_sum        'Ba Ti Si3 O9'
_cod_database_code               9015194
Auriacusite, Fe3+Cu2+AsO4O, the first M3+ member of the olivenite group, from the Black Pine mine, Montana, USA
Mills, S. J.; Kampf, A. R.; Poirier, G.; Raudsepp, M.; Steele, I. M.; Mineralogy and Petrology 99 (2010) 113–120; doi:10.1007/s00710-009-0089-7

data_9015195
_publ_section_title
;
 Auriacusite, Fe3+Cu2+AsO4O, the first M3+ member of the olivenite group,
 from the Black Pine mine, Montana, USA
;
_journal_name_full               'Mineralogy and Petrology'
_journal_page_first              113
_journal_page_last               120
_journal_paper_doi               10.1007/s00710-009-0089-7
_journal_volume                  99
_journal_year                    2010
_chemical_compound_source        'Black Pine mine, Montana, USA'
_chemical_formula_sum            'As Cu1.45 Fe0.55 O5'
_chemical_name_mineral           Auriacusite
_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                   8.6235
_cell_length_b                   8.2757
_cell_length_c                   5.9501
_cell_formula_units_Z            4
_cell_volume                     424.632
_database_code_amcsd             0014650
_exptl_crystal_density_diffrn    4.345
_cod_original_formula_sum        'Fe.55 Cu1.45 As O5'
_cod_database_code               9015195
The Crystal Structure of (CdSO4)3(H2O)8 _cod_database_code 1010534
Lipson, H.; Proceedings of the Royal Society of London A 156 (1936) 462–470; doi:10.1098/rspa.1936.0161

data_9015196
_publ_section_title
;
 The Crystal Structure of (CdSO4)3(H2O)8
 _cod_database_code 1010534
;
_journal_name_full
'Proceedings of the Royal Society of London A'
_journal_page_first              462
_journal_page_last               470
_journal_paper_doi               10.1098/rspa.1936.0161
_journal_volume                  156
_journal_year                    1936
_chemical_formula_sum            'Cd3 O20 S3'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-I 2ya'
_symmetry_space_group_name_H-M   'I 1 2/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 117.27
_cell_angle_gamma                90
_cell_length_a                   9.44
_cell_length_b                   11.87
_cell_length_c                   16.49
_cell_formula_units_Z            4
_cell_volume                     1642.387
_database_code_amcsd             0017439
_exptl_crystal_density_diffrn    3.047
_cod_duplicate_entry             1010534
_cod_original_formula_sum        'Cd3 S3 O20'
_cod_database_code               9015196
_amcsd_formula_title             (CdSO4)3(H2O)8
X-ray Rietveld and 57Fe Mossbauer studies of epidote and piemontite on the join Ca2Al2FeSi3O12(OH) - Ca2Al2MnSi3O12(OH) formed by hydrothermal synthesis Sample: q=0.75, run 27
Nagashima, M.; Akasada, M.; American Mineralogist 95 (2010) 1237–1246; doi:10.2138/am.2010.3418

data_9015197
_publ_section_title
;
 X-ray Rietveld and 57Fe Mossbauer studies of epidote and piemontite on the join
 Ca2Al2FeSi3O12(OH) - Ca2Al2MnSi3O12(OH) formed by hydrothermal synthesis
 Sample: q=0.75, run 27
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1237
_journal_page_last               1246
_journal_paper_doi               10.2138/am.2010.3418
_journal_volume                  95
_journal_year                    2010
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al2.21 Ca2 Fe0.58 H Mn0.21 O13 Si3'
_chemical_name_mineral           Epidote
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 115.428
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.8980
_cell_length_b                   5.6549
_cell_length_c                   10.1752
_cell_volume                     462.390
_database_code_amcsd             0016950
_exptl_crystal_density_diffrn    3.426
_cod_original_formula_sum        'Ca2 Al2.21 Fe.58 Mn.21 Si3 O13 H'
_cod_database_code               9015197
High-pressure study of a natural cancrinite Note: P = 1.39 GPa
Lotti, P.; Gatta, G. D.; Rotiroti, N.; Camara, F.; American Mineralogist 97 (2012) 872–882; doi:10.2138/am.2012.4039

data_9015198
_publ_section_title
;
 High-pressure study of a natural cancrinite
 Note: P = 1.39 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              872
_journal_page_last               882
_journal_paper_doi               10.2138/am.2012.4039
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        Cameroun
_chemical_formula_sum            'C0.88 H2 Al3 Ca0.438 Na3.522 O15.64 Si3'
_chemical_name_mineral           Cancrinite
_space_group_IT_number           173
_symmetry_space_group_name_Hall  'P 6c'
_symmetry_space_group_name_H-M   'P 63'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   12.514
_cell_length_b                   12.514
_cell_length_c                   5.034
_cell_volume                     682.710
_database_code_amcsd             0019028
_exptl_crystal_density_diffrn    2.561
_cod_original_formula_sum        'Si3 Al3 O15.64 Na3.522 Ca.438 C.88 H2'
_cod_database_code               9015198
Laurelite: Its crystal structure and relationship to alpha-PbF2 Note: Re-examination of the crystal by H Yang and A Kampf showed that it was twinned, and the partially occupied sites were relicts.
Merlino, S.; Pasero, M.; Perchiazzi, N.; Kampf, A. R.; American Mineralogist 81 (1996) 1277–1281; doi:

data_9015199
_publ_section_title
;
 Laurelite: Its crystal structure and relationship to alpha-PbF2
 Note: Re-examination of the crystal by H Yang and A Kampf showed that
 it was twinned, and the partially occupied sites were relicts.
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1277
_journal_page_last               1281
_journal_volume                  81
_journal_year                    1996
_chemical_formula_sum            'Cl2 F12 Pb7'
_chemical_name_mineral           Laurelite
_space_group_IT_number           174
_symmetry_space_group_name_Hall  'P -6'
_symmetry_space_group_name_H-M   'P -6'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   10.267
_cell_length_b                   10.267
_cell_length_c                   3.9844
_cell_formula_units_Z            1
_cell_volume                     363.731
_database_code_amcsd             0018359
_exptl_crystal_density_diffrn    7.986
_cod_original_formula_sum        'Pb7 Cl2 F12'
_cod_database_code               9015199
Structure cristalline du tetrametaphosphate de nickel ammonium heptahydrate: Ni(N H4)2 P4 O12 7 H2 O. _cod_database_code 1007169
Jouini, A.; Dabbabi, M.; Durif, A.; Journal of Solid State Chemistry 60 (1985) 6–12; doi:10.1016/0022-4596(85)90157-4

data_9015200
_publ_section_title
;
 Structure cristalline du tetrametaphosphate de nickel ammonium
 heptahydrate: Ni(N H4)2 P4 O12 7 H2 O.
 _cod_database_code 1007169
;
_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             0013558
_exptl_crystal_density_diffrn    1.802
_cod_duplicate_entry             1007169
_cod_original_formula_sum        'Ni P4 N2 O19'
_cod_database_code               9015200
_amcsd_formula_title             'H22 N2 Ni O19 P4'
Electron diffraction study of the structure of PbBi2Se4
Agaev, K. A.; Semiletov, S. A.; Kristallografiya 13 (1968) 258–260; doi:

data_9015201
_publ_section_title
;
 Electron diffraction study of the structure of PbBi2Se4
;
_journal_name_full               Kristallografiya
_journal_page_first              258
_journal_page_last               260
_journal_volume                  13
_journal_year                    1968
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Bi2 Pb Se4'
_chemical_name_mineral           Poubaite
_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                   4.16
_cell_length_b                   4.16
_cell_length_c                   39.20
_cell_formula_units_Z            3
_cell_volume                     587.494
_database_code_amcsd             0014179
_exptl_crystal_density_diffrn    7.979
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        '(Pb Bi2) Se4'
_cod_database_code               9015201
Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 15 min
Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.; European Journal of Mineralogy 24 (2012) 633–643; doi:10.1127/0935-1221/2012/0024-2223

data_9015202
_publ_section_title
;
 Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels
 Note Sample F39, disordered at 1000 C for 24 h, then ordered at 750 C
 Annealing time = 15 min
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              633
_journal_page_last               643
_journal_paper_doi               10.1127/0935-1221/2012/0024-2223
_journal_volume                  24
_journal_year                    2012
_chemical_formula_sum            'Al1.609 Fe0.388 Mg1.001 O4'
_chemical_name_mineral           Spinel
_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                   8.1476
_cell_length_b                   8.1476
_cell_length_c                   8.1476
_cell_formula_units_Z            8
_cell_volume                     540.865
_database_code_amcsd             0019302
_exptl_crystal_density_diffrn    3.768
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Al1.609 Mg1.001 Fe.388 O4'
_cod_database_code               9015202
Structure of a potassium diphosphate tellurate hydrate (K3HP2O7)(Te(OH)6)(H2O) _cod_database_code 1007096
Averbuch-Pouchot M; Durif, A.; Acta Crystallographica, Section C 39 (1983) 27–28; doi:10.1107/S0108270183003480

data_9015203
_publ_section_title
;
 Structure of a potassium diphosphate tellurate hydrate (K3HP2O7)(Te(OH)6)(H2O)
 _cod_database_code 1007096
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              27
_journal_page_last               28
_journal_paper_doi               10.1107/S0108270183003480
_journal_volume                  39
_journal_year                    1983
_chemical_formula_sum            'K3 O14 P2 Te'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                109.49
_cell_angle_beta                 84.34
_cell_angle_gamma                101.83
_cell_length_a                   15.98
_cell_length_b                   7.226
_cell_length_c                   6.253
_cell_formula_units_Z            2
_cell_volume                     665.855
_database_code_amcsd             0009969
_exptl_crystal_density_diffrn    2.648
_cod_duplicate_entry             1007096
_cod_original_formula_sum        'Te K3 P2 O14'
_cod_database_code               9015203
_amcsd_formula_title             'H9 K3 O14 P2 Te'
Linking structure and chemistry in the schorl-dravite series Sample O-T16-92
Bloodaxe, E. S.; Hughes, J. M.; Dyar, M. D.; Grew, E. S.; Guidotti, C. V.; American Mineralogist 84 (1999) 922–928; doi:

data_9015204
_publ_section_title
;
 Linking structure and chemistry in the schorl-dravite series
 Sample O-T16-92
;
_journal_name_full               'American Mineralogist'
_journal_page_first              922
_journal_page_last               928
_journal_volume                  84
_journal_year                    1999
_chemical_compound_source        'Bald Mountain, Rangeley, Oxford County, Maine'
_chemical_formula_sum
'Al6.516 B3 Ca0.156 Cr0.009 F0.06 Fe1.026 H3.094 K0.015 Mg1.359 Mn0.006 Na0.348 O30.94 Si6 Ti0.069 V0.006'
_chemical_name_mineral           Oxy-schorl
_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            3
_cell_length_a                   15.935
_cell_length_b                   15.935
_cell_length_c                   7.160
_cell_volume                     1574.519
_database_code_amcsd             0002242
_exptl_crystal_density_diffrn    3.118
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_original_formula_sum
'Na.348 Ca.156 K.015 Fe1.026 Mg1.359 Mn.006 Al6.516 Ti.069 V.006 Cr.009 Si6 B3 O30.94 F.06 H3.094'
_cod_database_code               9015204
Effects of extra oxygen on the structure and superconductivity of La2-xCaxCuO4+y prepared by chemical oxidation _cod_database_code 1006187
Rial, C.; Moran, E.; Alario-Franco M; Amador, U.; Martinez, J.; Rodriguez-Carvajal J; Andersen, N.; Physica C 297 (1998) 277–293; doi:

data_9015205
_publ_section_title
;
 Effects of extra oxygen on the structure and superconductivity of
 La2-xCaxCuO4+y prepared by chemical oxidation
 _cod_database_code 1006187
;
_journal_name_full               'Physica C'
_journal_page_first              277
_journal_page_last               293
_journal_volume                  297
_journal_year                    1998
_chemical_formula_sum            'Ca0.12 Cu La1.88 O3.914'
_space_group_IT_number           64
_symmetry_space_group_name_Hall  '-B 2ab 2'
_symmetry_space_group_name_H-M   'B m a b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.34975
_cell_length_b                   5.34975
_cell_length_c                   13.1874
_cell_formula_units_Z            4
_cell_volume                     377.421
_database_code_amcsd             0015096
_exptl_crystal_density_diffrn    6.901
_cod_duplicate_entry             1006187
_cod_original_sg_symbol_H-M      'F 4/m m m'
_cod_original_formula_sum        '(La1.88 Ca.12) Cu O3.914'
_cod_database_code               9015205
_amcsd_formula_title             'Ca0.12 Cu La1.88 O4.058'
X-ray study of the average structures of Cu2Se and Cu1.8S in the room temperature and the high temperature phases Note: Sample: Cu2Se (high) Model 2, T = 433 K
Yamamoto, K.; Kashida, S.; Journal of Solid State Chemistry 93 (1991) 202–211; doi:10.1016/0022-4596(91)90289-T

data_9015206
_publ_section_title
;
 X-ray study of the average structures of Cu2Se and Cu1.8S in the
 room temperature and the high temperature phases
 Note: Sample: Cu2Se (high) Model 2, T = 433 K
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              202
_journal_page_last               211
_journal_paper_doi               10.1016/0022-4596(91)90289-T
_journal_volume                  93
_journal_year                    1991
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cu1.95 Se'
_chemical_name_mineral           Berzelianite
_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                   5.787
_cell_length_b                   5.787
_cell_length_c                   5.787
_cell_formula_units_Z            4
_cell_volume                     193.803
_database_code_amcsd             0019149
_exptl_crystal_density_diffrn    6.953
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               9015206