LMucko/crystallography-open-database huggingface dataset:
A new Al-rich hydroxylian pseudorutile from Kalimantan, Indonesia
Grey, I. E.; Bordet, P.; Wilson, N. C.; Townend, R.; Bastow, T. J.; Brunelli, M.; American Mineralogist 95 (2010) 161–170; doi:

data_9016798
_publ_section_title
;
 A new Al-rich hydroxylian pseudorutile from Kalimantan, Indonesia
;
_journal_name_full               'American Mineralogist'
_journal_page_first              161
_journal_page_last               170
_journal_volume                  95
_journal_year                    2010
_chemical_compound_source        'Kalimantan, Indonesia'
_chemical_formula_sum            'Fe0.26 H1.32 O4 Ti1.467'
_chemical_name_mineral           Kleberite
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 130.784
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.5259
_cell_length_b                   4.5741
_cell_length_c                   9.854
_cell_volume                     256.847
_database_code_amcsd             0020642
_exptl_crystal_density_diffrn    3.881
_cod_data_source_file            inputs/fixed/downloads/04/04996.cif
_cod_data_source_block           04996
_cod_original_formula_sum        'Ti1.467 Fe.26 O4 H1.32'
_cod_database_code               9016798
Coulsellite, CaNa3AlMg3F14, a rhombohedral pyrochlore with 1:3 ordering in both A and B sites, from the Cleveland mine, Tasmania, Australia
Mumme, W. G.; Grey, I. E.; Birch, W. D.; Pring, A.; Bougerol, C.; Wilson, N. C.; American Mineralogist 95 (2010) 736–740; doi:

data_9016799
_publ_section_title
;
 Coulsellite, CaNa3AlMg3F14, a rhombohedral pyrochlore with 1:3 ordering
 in both A and B sites, from the Cleveland mine, Tasmania, Australia
;
_journal_name_full               'American Mineralogist'
_journal_page_first              736
_journal_page_last               740
_journal_volume                  95
_journal_year                    2010
_chemical_compound_source        'Cleveland tin mine, Luina, western Tasmania'
_chemical_formula_sum            'Al Ca F14 Mg3 Na3'
_chemical_name_mineral           Fluornatrocoulsellite
_space_group_IT_number           166
_space_group_name_Hall           '-P 3* 2'
_space_group_name_H-M_alt        'R -3 m :R'
_symmetry_space_group_name_H-M   'R -3 m :R'
_cell_angle_alpha                59.867
_cell_angle_beta                 59.867
_cell_angle_gamma                59.867
_cell_length_a                   7.1756
_cell_length_b                   7.1756
_cell_length_c                   7.1756
_cell_formula_units_Z            1
_cell_volume                     260.464
_database_code_amcsd             0020643
_exptl_crystal_density_diffrn    3.028
_cod_data_source_file            inputs/fixed/downloads/05/05017.cif
_cod_data_source_block           05017
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'Ca Na3 Al Mg3 F14'
_cod_database_code               9016799
Krotite, CaAl2O4, a new refractory mineral from the NWA 1934 meteorite
Ma, C.; Kampf, A. R.; Connolly, H. C.; Beckett, J. R.; Rossman, G. R.; Sweeney Smith, S. A.; Schrader, D. L.; American Mineralogist 96 (2011) 709–715; doi:

data_9016800
_publ_section_title
;
 Krotite, CaAl2O4, a new refractory mineral from the NWA 1934 meteorite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              709
_journal_page_last               715
_journal_volume                  96
_journal_year                    2011
_chemical_compound_source        'NWA 1934 CV3 carbonaceous chondrite'
_chemical_formula_sum            'Al2 Ca O4'
_chemical_name_mineral           Krotite
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.188
_cell_angle_gamma                90
_cell_length_a                   8.6996
_cell_length_b                   8.0994
_cell_length_c                   15.2170
_cell_formula_units_Z            12
_cell_volume                     1072.207
_database_code_amcsd             0020662
_exptl_crystal_density_diffrn    2.937
_cod_data_source_file            inputs/fixed/downloads/05/05103.cif
_cod_data_source_block           05103
_cod_original_cell_volume        1072.208
_cod_original_formula_sum        'Ca Al2 O4'
_cod_database_code               9016800
Effect of high pressure on the crystal structure and electronic properties of magnetite below 25 GPa Note: P = 0.0001 GPa
Glazyrin, K.; McCammon, C.; Dubrovinsky, L.; Merlini, M.; Schollenbruch, K.; Woodland, A.; Hanfland, M.; American Mineralogist 97 (2012) 128–133; doi:

data_9016801
_publ_section_title
;
 Effect of high pressure on the crystal structure and electronic properties
 of magnetite below 25 GPa
 Note: P = 0.0001 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              128
_journal_page_last               133
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe3 O4'
_chemical_name_mineral           Magnetite
_space_group_IT_number           227
_space_group_name_Hall           '-F 4vw 2vw 3'
_space_group_name_H-M_alt        'F d -3 m :2'
_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                   8.394
_cell_length_b                   8.394
_cell_length_c                   8.394
_cell_formula_units_Z            8
_cell_volume                     591.435
_database_code_amcsd             0020645
_diffrn_ambient_pressure         100
_exptl_crystal_density_diffrn    5.201
_cod_data_source_file            inputs/fixed/downloads/05/05148.cif
_cod_data_source_block           05148
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_database_code               9016801
Effect of high pressure on the crystal structure and electronic properties of magnetite below 25 GPa Note: P = 2.9 GPa
Glazyrin, K.; McCammon, C.; Dubrovinsky, L.; Merlini, M.; Schollenbruch, K.; Woodland, A.; Hanfland, M.; American Mineralogist 97 (2012) 128–133; doi:

data_9016802
_publ_section_title
;
 Effect of high pressure on the crystal structure and electronic properties
 of magnetite below 25 GPa
 Note: P = 2.9 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              128
_journal_page_last               133
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe3 O4'
_chemical_name_mineral           Magnetite
_space_group_IT_number           227
_space_group_name_Hall           '-F 4vw 2vw 3'
_space_group_name_H-M_alt        'F d -3 m :2'
_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                   8.350
_cell_length_b                   8.350
_cell_length_c                   8.350
_cell_formula_units_Z            8
_cell_volume                     582.183
_database_code_amcsd             0020646
_diffrn_ambient_pressure         2.9e+06
_exptl_crystal_density_diffrn    5.283
_cod_data_source_file            inputs/fixed/downloads/05/05149.cif
_cod_data_source_block           05149
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_database_code               9016802
Effect of high pressure on the crystal structure and electronic properties of magnetite below 25 GPa Note: P = 4.4 GPa
Glazyrin, K.; McCammon, C.; Dubrovinsky, L.; Merlini, M.; Schollenbruch, K.; Woodland, A.; Hanfland, M.; American Mineralogist 97 (2012) 128–133; doi:

data_9016803
_publ_section_title
;
 Effect of high pressure on the crystal structure and electronic properties
 of magnetite below 25 GPa
 Note: P = 4.4 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              128
_journal_page_last               133
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe3 O4'
_chemical_name_mineral           Magnetite
_space_group_IT_number           227
_space_group_name_Hall           '-F 4vw 2vw 3'
_space_group_name_H-M_alt        'F d -3 m :2'
_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                   8.328
_cell_length_b                   8.328
_cell_length_c                   8.328
_cell_formula_units_Z            8
_cell_volume                     577.593
_database_code_amcsd             0020647
_diffrn_ambient_pressure         4.4e+06
_exptl_crystal_density_diffrn    5.325
_cod_data_source_file            inputs/fixed/downloads/05/05150.cif
_cod_data_source_block           05150
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_database_code               9016803
Effect of high pressure on the crystal structure and electronic properties of magnetite below 25 GPa Note: P = 6.3 GPa
Glazyrin, K.; McCammon, C.; Dubrovinsky, L.; Merlini, M.; Schollenbruch, K.; Woodland, A.; Hanfland, M.; American Mineralogist 97 (2012) 128–133; doi:

data_9016804
_publ_section_title
;
 Effect of high pressure on the crystal structure and electronic properties
 of magnetite below 25 GPa
 Note: P = 6.3 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              128
_journal_page_last               133
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe3 O4'
_chemical_name_mineral           Magnetite
_space_group_IT_number           227
_space_group_name_Hall           '-F 4vw 2vw 3'
_space_group_name_H-M_alt        'F d -3 m :2'
_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                   8.304
_cell_length_b                   8.304
_cell_length_c                   8.304
_cell_formula_units_Z            8
_cell_volume                     572.614
_database_code_amcsd             0020648
_diffrn_ambient_pressure         6.3e+06
_exptl_crystal_density_diffrn    5.372
_cod_data_source_file            inputs/fixed/downloads/05/05151.cif
_cod_data_source_block           05151
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_database_code               9016804
Effect of high pressure on the crystal structure and electronic properties of magnetite below 25 GPa Note: P = 8.6 GPa
Glazyrin, K.; McCammon, C.; Dubrovinsky, L.; Merlini, M.; Schollenbruch, K.; Woodland, A.; Hanfland, M.; American Mineralogist 97 (2012) 128–133; doi:

data_9016805
_publ_section_title
;
 Effect of high pressure on the crystal structure and electronic properties
 of magnetite below 25 GPa
 Note: P = 8.6 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              128
_journal_page_last               133
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe3 O4'
_chemical_name_mineral           Magnetite
_space_group_IT_number           227
_space_group_name_Hall           '-F 4vw 2vw 3'
_space_group_name_H-M_alt        'F d -3 m :2'
_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                   8.272
_cell_length_b                   8.272
_cell_length_c                   8.272
_cell_formula_units_Z            8
_cell_volume                     566.020
_database_code_amcsd             0020649
_diffrn_ambient_pressure         8.6e+06
_exptl_crystal_density_diffrn    5.434
_cod_data_source_file            inputs/fixed/downloads/05/05152.cif
_cod_data_source_block           05152
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_database_code               9016805
Effect of high pressure on the crystal structure and electronic properties of magnetite below 25 GPa Note: P = 10.0 GPa
Glazyrin, K.; McCammon, C.; Dubrovinsky, L.; Merlini, M.; Schollenbruch, K.; Woodland, A.; Hanfland, M.; American Mineralogist 97 (2012) 128–133; doi:

data_9016806
_publ_section_title
;
 Effect of high pressure on the crystal structure and electronic properties
 of magnetite below 25 GPa
 Note: P = 10.0 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              128
_journal_page_last               133
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe3 O4'
_chemical_name_mineral           Magnetite
_space_group_IT_number           227
_space_group_name_Hall           '-F 4vw 2vw 3'
_space_group_name_H-M_alt        'F d -3 m :2'
_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                   8.261
_cell_length_b                   8.261
_cell_length_c                   8.261
_cell_formula_units_Z            8
_cell_volume                     563.765
_database_code_amcsd             0020650
_diffrn_ambient_pressure         1e+07
_exptl_crystal_density_diffrn    5.456
_cod_data_source_file            inputs/fixed/downloads/05/05153.cif
_cod_data_source_block           05153
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_database_code               9016806
Effect of high pressure on the crystal structure and electronic properties of magnetite below 25 GPa Note: P = 11.0 GPa
Glazyrin, K.; McCammon, C.; Dubrovinsky, L.; Merlini, M.; Schollenbruch, K.; Woodland, A.; Hanfland, M.; American Mineralogist 97 (2012) 128–133; doi:

data_9016807
_publ_section_title
;
 Effect of high pressure on the crystal structure and electronic properties
 of magnetite below 25 GPa
 Note: P = 11.0 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              128
_journal_page_last               133
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe3 O4'
_chemical_name_mineral           Magnetite
_space_group_IT_number           227
_space_group_name_Hall           '-F 4vw 2vw 3'
_space_group_name_H-M_alt        'F d -3 m :2'
_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                   8.249
_cell_length_b                   8.249
_cell_length_c                   8.249
_cell_formula_units_Z            8
_cell_volume                     561.311
_database_code_amcsd             0020651
_diffrn_ambient_pressure         1.1e+07
_exptl_crystal_density_diffrn    5.480
_cod_data_source_file            inputs/fixed/downloads/05/05154.cif
_cod_data_source_block           05154
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_database_code               9016807
Effect of high pressure on the crystal structure and electronic properties of magnetite below 25 GPa Note: P = 12.1 GPa
Glazyrin, K.; McCammon, C.; Dubrovinsky, L.; Merlini, M.; Schollenbruch, K.; Woodland, A.; Hanfland, M.; American Mineralogist 97 (2012) 128–133; doi:

data_9016808
_publ_section_title
;
 Effect of high pressure on the crystal structure and electronic properties
 of magnetite below 25 GPa
 Note: P = 12.1 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              128
_journal_page_last               133
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe3 O4'
_chemical_name_mineral           Magnetite
_space_group_IT_number           227
_space_group_name_Hall           '-F 4vw 2vw 3'
_space_group_name_H-M_alt        'F d -3 m :2'
_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                   8.236
_cell_length_b                   8.236
_cell_length_c                   8.236
_cell_formula_units_Z            8
_cell_volume                     558.662
_database_code_amcsd             0020652
_diffrn_ambient_pressure         1.21e+07
_exptl_crystal_density_diffrn    5.506
_cod_data_source_file            inputs/fixed/downloads/05/05155.cif
_cod_data_source_block           05155
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_database_code               9016808
Effect of high pressure on the crystal structure and electronic properties of magnetite below 25 GPa Note: P = 12.9 GPa
Glazyrin, K.; McCammon, C.; Dubrovinsky, L.; Merlini, M.; Schollenbruch, K.; Woodland, A.; Hanfland, M.; American Mineralogist 97 (2012) 128–133; doi:

data_9016809
_publ_section_title
;
 Effect of high pressure on the crystal structure and electronic properties
 of magnetite below 25 GPa
 Note: P = 12.9 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              128
_journal_page_last               133
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe3 O4'
_chemical_name_mineral           Magnetite
_space_group_IT_number           227
_space_group_name_Hall           '-F 4vw 2vw 3'
_space_group_name_H-M_alt        'F d -3 m :2'
_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                   8.225
_cell_length_b                   8.225
_cell_length_c                   8.225
_cell_formula_units_Z            8
_cell_volume                     556.426
_database_code_amcsd             0020653
_diffrn_ambient_pressure         1.29e+07
_exptl_crystal_density_diffrn    5.528
_cod_data_source_file            inputs/fixed/downloads/05/05156.cif
_cod_data_source_block           05156
_cod_original_cell_volume        556.427
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_database_code               9016809
Effect of high pressure on the crystal structure and electronic properties of magnetite below 25 GPa Note: P = 14.4 GPa
Glazyrin, K.; McCammon, C.; Dubrovinsky, L.; Merlini, M.; Schollenbruch, K.; Woodland, A.; Hanfland, M.; American Mineralogist 97 (2012) 128–133; doi:

data_9016810
_publ_section_title
;
 Effect of high pressure on the crystal structure and electronic properties
 of magnetite below 25 GPa
 Note: P = 14.4 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              128
_journal_page_last               133
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe3 O4'
_chemical_name_mineral           Magnetite
_space_group_IT_number           227
_space_group_name_Hall           '-F 4vw 2vw 3'
_space_group_name_H-M_alt        'F d -3 m :2'
_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                   8.207
_cell_length_b                   8.207
_cell_length_c                   8.207
_cell_formula_units_Z            8
_cell_volume                     552.781
_database_code_amcsd             0020654
_diffrn_ambient_pressure         1.44e+07
_exptl_crystal_density_diffrn    5.564
_cod_data_source_file            inputs/fixed/downloads/05/05157.cif
_cod_data_source_block           05157
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_database_code               9016810
Effect of high pressure on the crystal structure and electronic properties of magnetite below 25 GPa Note: P = 15.1 GPa
Glazyrin, K.; McCammon, C.; Dubrovinsky, L.; Merlini, M.; Schollenbruch, K.; Woodland, A.; Hanfland, M.; American Mineralogist 97 (2012) 128–133; doi:

data_9016811
_publ_section_title
;
 Effect of high pressure on the crystal structure and electronic properties
 of magnetite below 25 GPa
 Note: P = 15.1 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              128
_journal_page_last               133
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe3 O4'
_chemical_name_mineral           Magnetite
_space_group_IT_number           227
_space_group_name_Hall           '-F 4vw 2vw 3'
_space_group_name_H-M_alt        'F d -3 m :2'
_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                   8.198
_cell_length_b                   8.198
_cell_length_c                   8.198
_cell_formula_units_Z            8
_cell_volume                     550.965
_database_code_amcsd             0020655
_diffrn_ambient_pressure         1.51e+07
_exptl_crystal_density_diffrn    5.583
_cod_data_source_file            inputs/fixed/downloads/05/05158.cif
_cod_data_source_block           05158
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_database_code               9016811
Effect of high pressure on the crystal structure and electronic properties of magnetite below 25 GPa Note: P = 16.0 GPa
Glazyrin, K.; McCammon, C.; Dubrovinsky, L.; Merlini, M.; Schollenbruch, K.; Woodland, A.; Hanfland, M.; American Mineralogist 97 (2012) 128–133; doi:

data_9016812
_publ_section_title
;
 Effect of high pressure on the crystal structure and electronic properties
 of magnetite below 25 GPa
 Note: P = 16.0 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              128
_journal_page_last               133
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe3 O4'
_chemical_name_mineral           Magnetite
_space_group_IT_number           227
_space_group_name_Hall           '-F 4vw 2vw 3'
_space_group_name_H-M_alt        'F d -3 m :2'
_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                   8.184
_cell_length_b                   8.184
_cell_length_c                   8.184
_cell_formula_units_Z            8
_cell_volume                     548.147
_database_code_amcsd             0020656
_diffrn_ambient_pressure         1.6e+07
_exptl_crystal_density_diffrn    5.611
_cod_data_source_file            inputs/fixed/downloads/05/05159.cif
_cod_data_source_block           05159
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_database_code               9016812