LMucko/crystallography-open-database huggingface dataset:
Crystallographic tables for the rhombohedral carbonates
Graf, D. L.; American Mineralogist 46 (1961) 1283–1316; doi:

data_9000098
_publ_section_title
;
 Crystallographic tables for the rhombohedral carbonates
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1283
_journal_page_last               1316
_journal_volume                  46
_journal_year                    1961
_chemical_formula_structural     Fe(CO3)
_chemical_formula_sum            'C Fe O3'
_chemical_name_mineral           Siderite
_space_group_crystal_system      trigonal
_space_group_IT_number           167
_space_group_name_Hall           '-R 3 2"c'
_space_group_name_H-M_alt        'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   4.6887
_cell_length_b                   4.6887
_cell_length_c                   15.373
_cell_volume                     292.681
_database_code_amcsd             0000101
_exptl_crystal_density_diffrn    3.944
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        'Fe C O3'
_cod_database_code               9000098
Crystallographic tables for the rhombohedral carbonates
Graf, D. L.; American Mineralogist 46 (1961) 1283–1316; doi:

data_9000099
_publ_section_title
;
 Crystallographic tables for the rhombohedral carbonates
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1283
_journal_page_last               1316
_journal_volume                  46
_journal_year                    1961
_chemical_formula_structural     Zn(CO3)
_chemical_formula_sum            'C O3 Zn'
_chemical_name_mineral           Smithsonite
_space_group_crystal_system      trigonal
_space_group_IT_number           167
_space_group_name_Hall           '-R 3 2"c'
_space_group_name_H-M_alt        'R -3 c :H'
_symmetry_space_group_name_H-M   'R -3 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   4.6528
_cell_length_b                   4.6528
_cell_length_c                   15.025
_cell_volume                     281.692
_database_code_amcsd             0000102
_exptl_crystal_density_diffrn    4.435
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        'Zn C O3'
_cod_database_code               9000099
Crystallographic tables for the rhombohedral carbonates
Graf, D. L.; American Mineralogist 46 (1961) 1283–1316; doi:

data_9000100
_publ_section_title
;
 Crystallographic tables for the rhombohedral carbonates
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1283
_journal_page_last               1316
_journal_volume                  46
_journal_year                    1961
_chemical_formula_structural     Cd(CO3)
_chemical_formula_sum            'C Cd O3'
_chemical_name_mineral           Otavite
_space_group_crystal_system      trigonal
_space_group_IT_number           167
_space_group_name_Hall           '-R 3 2"c'
_space_group_name_H-M_alt        'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   4.9204
_cell_length_b                   4.9204
_cell_length_c                   16.298
_cell_volume                     341.716
_database_code_amcsd             0000103
_exptl_crystal_density_diffrn    5.027
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        'Cd C O3'
_cod_database_code               9000100
Crystallographic tables for the rhombohedral carbonates
Graf, D. L.; American Mineralogist 46 (1961) 1283–1316; doi:

data_9000101
_publ_section_title
;
 Crystallographic tables for the rhombohedral carbonates
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1283
_journal_page_last               1316
_journal_volume                  46
_journal_year                    1961
_chemical_formula_structural     Co(CO3)
_chemical_formula_sum            'C Co O3'
_chemical_name_mineral           Spherocobaltite
_space_group_crystal_system      trigonal
_space_group_IT_number           167
_space_group_name_Hall           '-R 3 2"c'
_space_group_name_H-M_alt        'R -3 c :H'
_symmetry_space_group_name_H-M   'R -3 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   4.6581
_cell_length_b                   4.6581
_cell_length_c                   14.958
_cell_volume                     281.075
_database_code_amcsd             0000104
_exptl_crystal_density_diffrn    4.216
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        'Co C O3'
_cod_database_code               9000101
Crystallographic tables for the rhombohedral carbonates
Graf, D. L.; American Mineralogist 46 (1961) 1283–1316; doi:

data_9000102
_publ_section_title
;
 Crystallographic tables for the rhombohedral carbonates
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1283
_journal_page_last               1316
_journal_volume                  46
_journal_year                    1961
_chemical_formula_structural     Ni(CO3)
_chemical_formula_sum            'C Ni O3'
_chemical_name_mineral           Gaspeite
_space_group_crystal_system      trigonal
_space_group_IT_number           167
_space_group_name_Hall           '-R 3 2"c'
_space_group_name_H-M_alt        'R -3 c :H'
_symmetry_space_group_name_H-M   'R -3 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   4.5975
_cell_length_b                   4.5975
_cell_length_c                   14.723
_cell_volume                     269.507
_database_code_amcsd             0000105
_exptl_crystal_density_diffrn    4.388
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        'Ni C O3'
_cod_database_code               9000102
Crystallographic tables for the rhombohedral carbonates Note: Disordered model
Graf, D. L.; American Mineralogist 46 (1961) 1283–1316; doi:

data_9000103
_publ_section_title
;
 Crystallographic tables for the rhombohedral carbonates
 Note: Disordered model
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1283
_journal_page_last               1316
_journal_volume                  46
_journal_year                    1961
_chemical_formula_structural     CaMn(CO3)2
_chemical_formula_sum            'C Ca0.5 Mn0.5 O3'
_chemical_name_mineral           Kutnohorite
_space_group_crystal_system      trigonal
_space_group_IT_number           167
_space_group_name_Hall           '-R 3 2"c'
_space_group_name_H-M_alt        'R -3 c :H'
_symmetry_space_group_name_H-M   'R -3 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   4.8797
_cell_length_b                   4.8797
_cell_length_c                   16.367
_cell_volume                     337.509
_database_code_amcsd             0000106
_exptl_crystal_density_diffrn    3.174
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        '(Ca.5 Mn.5) C O3'
_cod_database_code               9000103
Crystallographic tables for the rhombohedral carbonates
Graf, D. L.; American Mineralogist 46 (1961) 1283–1316; doi:

data_9000104
_publ_section_title
;
 Crystallographic tables for the rhombohedral carbonates
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1283
_journal_page_last               1316
_journal_volume                  46
_journal_year                    1961
_chemical_formula_structural     'Cu (C O3)'
_chemical_formula_sum            'C Cu O3'
_space_group_crystal_system      trigonal
_space_group_IT_number           167
_space_group_name_Hall           '-R 3 2"c'
_space_group_name_H-M_alt        'R -3 c :H'
_symmetry_space_group_name_H-M   'R -3 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   4.796
_cell_length_b                   4.796
_cell_length_c                   15.48
_cell_volume                     308.361
_database_code_amcsd             0000107
_exptl_crystal_density_diffrn    3.992
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        'Cu C O3'
_cod_database_code               9000104
_amcsd_formula_title             CuCO3
Crystallographic tables for the rhombohedral carbonates
Graf, D. L.; American Mineralogist 46 (1961) 1283–1316; doi:

data_9000105
_publ_section_title
;
 Crystallographic tables for the rhombohedral carbonates
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1283
_journal_page_last               1316
_journal_volume                  46
_journal_year                    1961
_chemical_formula_structural     CaMg(CO3)2
_chemical_formula_sum            'C2 Ca Mg O6'
_chemical_name_mineral           Dolomite
_space_group_crystal_system      trigonal
_space_group_IT_number           148
_space_group_name_Hall           '-R 3'
_space_group_name_H-M_alt        'R -3 :H'
_symmetry_space_group_name_H-M   'R -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   4.8079
_cell_length_b                   4.8079
_cell_length_c                   16.010
_cell_volume                     320.504
_database_code_amcsd             0000108
_exptl_crystal_density_diffrn    2.866
_cod_original_sg_symbol_H-M      'R -3'
_cod_original_formula_sum        'Ca Mg C2 O6'
_cod_database_code               9000105
Crystallographic tables for the rhombohedral carbonates
Graf, D. L.; American Mineralogist 46 (1961) 1283–1316; doi:

data_9000106
_publ_section_title
;
 Crystallographic tables for the rhombohedral carbonates
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1283
_journal_page_last               1316
_journal_volume                  46
_journal_year                    1961
_chemical_formula_structural     'CdMg (C O3)2'
_chemical_formula_sum            'C2 Cd Mg O6'
_space_group_crystal_system      trigonal
_space_group_IT_number           148
_space_group_name_Hall           '-R 3'
_space_group_name_H-M_alt        'R -3 :H'
_symmetry_space_group_name_H-M   'R -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   4.777
_cell_length_b                   4.777
_cell_length_c                   15.641
_cell_volume                     309.105
_database_code_amcsd             0000109
_exptl_crystal_density_diffrn    4.138
_cod_original_sg_symbol_H-M      'R -3'
_cod_original_formula_sum        'Cd Mg C2 O6'
_cod_database_code               9000106
_amcsd_formula_title             CdMg(CO3)2
Unit-cell edges of natural and synthetic sphalerites
Skinner, B. J.; American Mineralogist 46 (1961) 1399–1411; doi:

data_9000107
_publ_section_title
;
 Unit-cell edges of natural and synthetic sphalerites
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1399
_journal_page_last               1411
_journal_volume                  46
_journal_year                    1961
_chemical_compound_source        Synthetic
_chemical_formula_sum            'S Zn'
_chemical_name_mineral           Sphalerite
_space_group_IT_number           216
_symmetry_space_group_name_Hall  'F -4 2 3'
_symmetry_space_group_name_H-M   'F -4 3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.4093
_cell_length_b                   5.4093
_cell_length_c                   5.4093
_cell_formula_units_Z            4
_cell_volume                     158.279
_database_code_amcsd             0000110
_exptl_crystal_density_diffrn    4.090
_cod_original_formula_sum        'Zn S'
_cod_database_code               9000107
Unit-cell edges of natural and synthetic sphalerites
Skinner, B. J.; American Mineralogist 46 (1961) 1399–1411; doi:

data_9000108
_publ_section_title
;
 Unit-cell edges of natural and synthetic sphalerites
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1399
_journal_page_last               1411
_journal_volume                  46
_journal_year                    1961
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cd S'
_chemical_name_mineral           Hawleyite
_space_group_IT_number           216
_symmetry_space_group_name_Hall  'F -4 2 3'
_symmetry_space_group_name_H-M   'F -4 3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.833
_cell_length_b                   5.833
_cell_length_c                   5.833
_cell_formula_units_Z            4
_cell_volume                     198.461
_database_code_amcsd             0000111
_exptl_crystal_density_diffrn    4.835
_cod_database_code               9000108
Arsenopyrite crystal-chemical relations From Freiberg, Germany
Morimoto, N.; Clark, L. A.; American Mineralogist 46 (1961) 1448–1469; doi:

data_9000109
_publ_section_title
;
 Arsenopyrite crystal-chemical relations
 From Freiberg, Germany
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1448
_journal_page_last               1469
_journal_volume                  46
_journal_year                    1961
_chemical_formula_sum            'As Fe S'
_chemical_name_mineral           Arsenopyrite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                90.0
_cell_angle_beta                 112.28
_cell_angle_gamma                90.0
_cell_length_a                   5.744
_cell_length_b                   5.675
_cell_length_c                   5.785
_cell_formula_units_Z            4
_cell_volume                     174.496
_database_code_amcsd             0000112
_exptl_crystal_density_diffrn    6.198
_cod_original_formula_sum        'Fe As S'
_cod_database_code               9000109
The determination and refinement of the structure of narsarsukite, Na2TiOSi4O10
Peacor, D. R.; Buerger, M. J.; American Mineralogist 47 (1962) 539–556; doi:

data_9000110
_publ_section_title
;The determination and refinement of the structure of narsarsukite,
 Na2TiOSi4O10
;
_journal_name_full               'American Mineralogist'
_journal_page_first              539
_journal_page_last               556
_journal_volume                  47
_journal_year                    1962
_chemical_formula_sum            'Na4 O22 Si8 Ti2'
_chemical_name_mineral           Narsarsukite
_space_group_IT_number           87
_symmetry_space_group_name_Hall  '-I 4'
_symmetry_space_group_name_H-M   'I 4/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.7269
_cell_length_b                   10.7269
_cell_length_c                   7.9476
_cell_volume                     914.502
_database_code_amcsd             0000113
_exptl_crystal_density_diffrn    2.776
_cod_original_formula_sum        'Ti Na2 Si4 O11'
_cod_database_code               9000110
Crystal structure of a trioctahedral mica: Phlogopite
Steinfink, H.; American Mineralogist 47 (1962) 886–889; doi:

data_9000111
_publ_section_title
;
 Crystal structure of a trioctahedral mica: Phlogopite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              886
_journal_page_last               889
_journal_volume                  47
_journal_year                    1962
_chemical_formula_sum            'Fe H2 K0.9 Mg3 Mn0.1 O12 Si3'
_chemical_name_mineral           Phlogopite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.0
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.36
_cell_length_b                   9.29
_cell_length_c                   10.41
_cell_volume                     510.485
_database_code_amcsd             0000114
_exptl_crystal_density_diffrn    2.913
_cod_original_formula_sum        '(K.9 Mn.1) Mg3 (Si3 Fe) O12 H2'
_cod_database_code               9000111
A nuclear magnetic resonance determination of the hydrogen positions in Ca(OH)2 T = -190 C
Henderson, D. M.; Gutowsky, H. S.; American Mineralogist 47 (1962) 1231–1251; doi:

data_9000112
_publ_section_title
;A nuclear magnetic resonance determination of the hydrogen positions in
 Ca(OH)2 T = -190 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1231
_journal_page_last               1251
_journal_volume                  47
_journal_year                    1962
_chemical_formula_structural     Ca(OH)2
_chemical_formula_sum            'Ca H2 O2'
_chemical_name_mineral           Portlandite
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   3.585
_cell_length_b                   3.585
_cell_length_c                   4.871
_cell_volume                     54.216
_database_code_amcsd             0000116
_diffrn_ambient_temperature      83.15
_exptl_crystal_density_diffrn    2.269
_cod_original_formula_sum        'Ca O2 H2'
_cod_database_code               9000112
A nuclear magnetic resonance determination of the hydrogen positions in Ca(OH)2 T = 25 C
Henderson, D. M.; Gutowsky, H. S.; American Mineralogist 47 (1962) 1231–1251; doi:

data_9000113
_publ_section_title
;A nuclear magnetic resonance determination of the hydrogen positions in
 Ca(OH)2 T = 25 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1231
_journal_page_last               1251
_journal_volume                  47
_journal_year                    1962
_chemical_formula_structural     Ca(OH)2
_chemical_formula_sum            'Ca H2 O2'
_chemical_name_mineral           Portlandite
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   3.5925
_cell_length_b                   3.5925
_cell_length_c                   4.905
_cell_volume                     54.823
_database_code_amcsd             0000117
_diffrn_ambient_temperature      298.15
_exptl_crystal_density_diffrn    2.244
_cod_original_formula_sum        'Ca O2 H2'
_cod_database_code               9000113
The crystal structure of carminite
Finney, J. J.; American Mineralogist 48 (1963) 1–13; doi:

data_9000114
_publ_section_title
;
 The crystal structure of carminite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1
_journal_page_last               13
_journal_volume                  48
_journal_year                    1963
_chemical_formula_sum            'As2 Fe2 H2 O10 Pb'
_chemical_name_mineral           Carminite
_space_group_IT_number           66
_symmetry_space_group_name_Hall  '-C 2 2c'
_symmetry_space_group_name_H-M   'C c c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   16.595
_cell_length_b                   7.580
_cell_length_c                   12.295
_cell_volume                     1546.589
_database_code_amcsd             0000118
_exptl_crystal_density_diffrn    5.418
_cod_original_formula_sum        'Pb As2 Fe2 O10 H2'
_cod_database_code               9000114
Chlorite polytypism: II. Crystal structure of a one-layer Cr-chlorite Note: variety called kammererite
Brown, B. E.; Bailey, S. W.; American Mineralogist 48 (1963) 42–61; doi:

data_9000115
_publ_section_title
;
 Chlorite polytypism: II. Crystal structure of a one-layer Cr-chlorite
 Note: variety called kammererite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              42
_journal_page_last               61
_journal_volume                  48
_journal_year                    1963
_chemical_formula_sum            'Al1.2 Cr0.7 H8 Mg5.1 O18 Si3'
_chemical_name_mineral           Clinochlore
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)'
_symmetry_space_group_name_H-M   'C -1'
_cell_angle_alpha                90.0
_cell_angle_beta                 97.08
_cell_angle_gamma                90.0
_cell_formula_units_Z            2
_cell_length_a                   5.338
_cell_length_b                   9.247
_cell_length_c                   14.435
_cell_volume                     707.086
_database_code_amcsd             0000119
_exptl_crystal_density_diffrn    2.691
_cod_original_formula_sum        'Mg5.1 Al1.2 Cr.7 Si3 O18 H8'
_cod_database_code               9000115
A hydrothermally synthesized iron analog of pollucite - Its structure and significance
Harris, L. A.; Clark, G. W.; Yakel, H. L.; American Mineralogist 48 (1963) 100–109; doi:

data_9000116
_publ_section_title
;
 A hydrothermally synthesized iron analog of pollucite -
 Its structure and significance
;
_journal_name_full               'American Mineralogist'
_journal_page_first              100
_journal_page_last               109
_journal_volume                  48
_journal_year                    1963
_chemical_formula_structural     'Cs Fe Si2 O6'
_chemical_formula_sum            'Cs Fe O6 Si2'
_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                   13.66
_cell_length_b                   13.66
_cell_length_c                   13.66
_cell_formula_units_Z            16
_cell_volume                     2548.896
_database_code_amcsd             0000120
_exptl_crystal_density_diffrn    3.554
_cod_original_formula_sum        'Cs (Fe Si2) O6'
_cod_database_code               9000116
_amcsd_formula_title             CsFeSi2O6
Polymorphism in digenite high-temperature form at T = 80 C
Morimoto, N.; Kullerud, G.; American Mineralogist 48 (1963) 110–123; doi:

data_9000117
_publ_section_title
;
 Polymorphism in digenite
 high-temperature form at T = 80 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              110
_journal_page_last               123
_journal_volume                  48
_journal_year                    1963
_chemical_formula_sum            'Cu1.8 S'
_chemical_name_mineral           Digenite
_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                   5.570
_cell_length_b                   5.570
_cell_length_c                   5.570
_cell_formula_units_Z            4
_cell_volume                     172.809
_database_code_amcsd             0000121
_diffrn_ambient_temperature      353.15
_exptl_crystal_density_diffrn    5.629
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               9000117