LMucko/crystallography-open-database huggingface dataset:
The crystallography of bastnaesite, parasite, roentgenite, and synchisite
Donnay, G.; Donnay, J. D. H.; American Mineralogist 38 (1953) 932–963; doi:

data_9000057
_publ_section_title
;
 The crystallography of bastnaesite, parasite, roentgenite, and synchisite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              932
_journal_page_last               963
_journal_volume                  38
_journal_year                    1953
_chemical_formula_structural     CaCe2(CO3)3F2
_chemical_formula_sum            'C3 Ca Ce2 F2 O9'
_chemical_name_mineral           Parisite-(Ce)
_space_group_IT_number           146
_symmetry_space_group_name_Hall  'R 3'
_symmetry_space_group_name_H-M   'R 3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   7.12
_cell_length_b                   7.12
_cell_length_c                   84.1
_cell_formula_units_Z            18
_cell_volume                     3692.212
_database_code_amcsd             0000060
_exptl_crystal_density_diffrn    3.386
_cod_original_cell_volume        3692.211
_cod_original_sg_symbol_H-M      'R 3'
_cod_original_formula_sum        'Ce2 Ca C O3 F2'
_cod_database_code               9000057
The crystallography of bastnaesite, parasite, roentgenite, and synchisite
Donnay, G.; Donnay, J. D. H.; American Mineralogist 38 (1953) 932–963; doi:

data_9000058
_publ_section_title
;
 The crystallography of bastnaesite, parasite, roentgenite, and synchisite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              932
_journal_page_last               963
_journal_volume                  38
_journal_year                    1953
_chemical_formula_structural     Ca2Ce3(CO3)5F3
_chemical_formula_sum            'C5 Ca2 Ce3 F3 O15'
_chemical_name_mineral           Rontgenite-(Ce)
_space_group_IT_number           146
_symmetry_space_group_name_Hall  'R 3'
_symmetry_space_group_name_H-M   'R 3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   7.13
_cell_length_b                   7.13
_cell_length_c                   69.4
_cell_formula_units_Z            9
_cell_volume                     3055.408
_database_code_amcsd             0000061
_exptl_crystal_density_diffrn    3.020
_cod_original_sg_symbol_H-M      'R 3'
_cod_original_formula_sum        'Ce3 Ca2 C O3 F3'
_cod_database_code               9000058
The crystal structure of montroseite, a vanadium member of the diaspore group
Evans, H. T.; Block, S.; American Mineralogist 38 (1953) 1242–1250; doi:

data_9000059
_publ_section_title
'The crystal structure of montroseite, a vanadium member of the diaspore group'
_journal_name_full               'American Mineralogist'
_journal_page_first              1242
_journal_page_last               1250
_journal_volume                  38
_journal_year                    1953
_chemical_formula_structural     (Fe0.125,V0.875)O(OH)
_chemical_formula_sum            'Fe0.125 H O2 V0.875'
_chemical_name_mineral           Montroseite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.54
_cell_length_b                   9.97
_cell_length_c                   3.03
_cell_volume                     137.149
_database_code_amcsd             0000062
_exptl_crystal_density_diffrn    4.095
_cod_original_formula_sum        '(Fe.125 V.875) (O2 H)'
_cod_database_code               9000059
Crystal structure of magnesium-vermiculite
Mathieson, A. M.; Walker, G. F.; American Mineralogist 39 (1954) 231–255; doi:

data_9000060
_publ_section_title
;
 Crystal structure of magnesium-vermiculite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              231
_journal_page_last               255
_journal_volume                  39
_journal_year                    1954
_chemical_formula_sum            'Al0.721 Fe0.24 H3 Mg1.338 O9 Si1.36'
_chemical_name_mineral           Vermiculite
_space_group_IT_number           9
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 97
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.33
_cell_length_b                   9.18
_cell_length_c                   28.90
_cell_volume                     1403.519
_database_code_amcsd             0000063
_exptl_crystal_density_diffrn    1.186
_cod_original_cell_volume        1403.520
_cod_original_formula_sum        'Mg1.338 Fe.24 Al.721 Si1.36 O9 H3'
_cod_database_code               9000060
The crystal structure of berthierite, FeSb2S4
Buerger, M. J.; Hahn, T.; American Mineralogist 39 (1954) 319–319; doi:

data_9000061
_publ_section_title
;
 The crystal structure of berthierite, FeSb2S4
;
_journal_name_full               'American Mineralogist'
_journal_page_first              319
_journal_page_last               319
_journal_volume                  39
_journal_year                    1954
_chemical_formula_sum            'Fe S4 Sb2'
_chemical_name_mineral           Berthierite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2n'
_symmetry_space_group_name_H-M   'P n a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.44
_cell_length_b                   14.12
_cell_length_c                   3.76
_cell_formula_units_Z            4
_cell_volume                     607.363
_database_code_amcsd             0000064
_exptl_crystal_density_diffrn    4.676
_cod_original_formula_sum        'Fe Sb2 S4'
_cod_database_code               9000061
The crystal structure of covellite, CuS and klockmannite, CuSe
Berry, L. G.; American Mineralogist 39 (1954) 504–509; doi:

data_9000062
_publ_section_title
;
 The crystal structure of covellite, CuS and klockmannite, CuSe
;
_journal_name_full               'American Mineralogist'
_journal_page_first              504
_journal_page_last               509
_journal_volume                  39
_journal_year                    1954
_chemical_compound_source        'Leonard mine, Butte, Montana, USA'
_chemical_formula_sum            'Cu S'
_chemical_name_mineral           Covellite
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   3.796
_cell_length_b                   3.796
_cell_length_c                   16.36
_cell_formula_units_Z            6
_cell_volume                     204.158
_database_code_amcsd             0000065
_exptl_crystal_density_diffrn    4.666
_cod_database_code               9000062
The crystal structure of covellite, CuS and klockmannite, CuSe
Berry, L. G.; American Mineralogist 39 (1954) 504–509; doi:

data_9000063
_publ_section_title
;
 The crystal structure of covellite, CuS and klockmannite, CuSe
;
_journal_name_full               'American Mineralogist'
_journal_page_first              504
_journal_page_last               509
_journal_volume                  39
_journal_year                    1954
_chemical_formula_sum            'Cu Se'
_chemical_name_mineral           Klockmannite
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   3.938
_cell_length_b                   3.938
_cell_length_c                   17.25
_cell_volume                     231.671
_database_code_amcsd             0000066
_exptl_crystal_density_diffrn    6.129
_cod_database_code               9000063
Determination of the crystal structure of nepheline
Buerger, M. J.; Klein, G. E.; Donnay, G.; American Mineralogist 39 (1954) 805–818; doi:

data_9000064
_publ_section_title
;
 Determination of the crystal structure of nepheline
;
_journal_name_full               'American Mineralogist'
_journal_page_first              805
_journal_page_last               818
_journal_volume                  39
_journal_year                    1954
_chemical_formula_sum            'Al4 K Na3 O16 Si4'
_chemical_name_mineral           Nepheline
_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_length_a                   10.01
_cell_length_b                   10.01
_cell_length_c                   8.405
_cell_formula_units_Z            2
_cell_volume                     729.351
_exptl_crystal_density_diffrn    2.661
_cod_original_formula_sum        'K Na3 Si4 Al4 O16'
_cod_database_code               9000064
_cod_duplicate_entry             1008753
Refinement of the structure of cubanite, CuFe2S3
Azaroff, L. V.; Buerger, M. J.; American Mineralogist 40 (1955) 213–225; doi:

data_9000065
_publ_section_title
;
 Refinement of the structure of cubanite, CuFe2S3
;
_journal_name_full               'American Mineralogist'
_journal_page_first              213
_journal_page_last               225
_journal_volume                  40
_journal_year                    1955
_chemical_formula_sum            'Cu Fe2 S3'
_chemical_name_mineral           Cubanite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2n 2ac'
_symmetry_space_group_name_H-M   'P c m n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.46
_cell_length_b                   11.12
_cell_length_c                   6.23
_cell_formula_units_Z            4
_cell_volume                     447.533
_database_code_amcsd             0000068
_exptl_crystal_density_diffrn    4.029
_cod_original_formula_sum        'Fe2 Cu S3'
_cod_database_code               9000065
The crystal structure of berthierite, FeSb2S4
Buerger, M. J.; Hahn, T.; American Mineralogist 40 (1955) 226–238; doi:

data_9000066
_publ_section_title
;
 The crystal structure of berthierite, FeSb2S4
;
_journal_name_full               'American Mineralogist'
_journal_page_first              226
_journal_page_last               238
_journal_volume                  40
_journal_year                    1955
_chemical_formula_sum            'Fe S4 Sb2'
_chemical_name_mineral           Berthierite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2n'
_symmetry_space_group_name_H-M   'P n a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.44
_cell_length_b                   14.12
_cell_length_c                   3.76
_cell_formula_units_Z            4
_cell_volume                     607.363
_database_code_amcsd             0000069
_exptl_crystal_density_diffrn    4.676
_cod_original_formula_sum        'Sb2 Fe S4'
_cod_database_code               9000066
Hawleyite, isometric cadmium sulphide, a new mineral
Traill, R. J.; Boyle, R. W.; American Mineralogist 40 (1955) 555–559; doi:

data_9000067
_publ_section_title
;
 Hawleyite, isometric cadmium sulphide, a new mineral
;
_journal_name_full               'American Mineralogist'
_journal_page_first              555
_journal_page_last               559
_journal_volume                  40
_journal_year                    1955
_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                   5.818
_cell_length_b                   5.818
_cell_length_c                   5.818
_cell_formula_units_Z            4
_cell_volume                     196.934
_exptl_crystal_density_diffrn    4.873
_cod_database_code               9000067
_database_code_amcsd             0000070
The structures of the minerals of the descloizite and adelite groups: II - pyrobelonite.
Donaldson, D. M.; Barnes, W. H.; American Mineralogist 40 (1955) 580–596; doi:

data_9000068
_publ_section_title
;
 The structures of the minerals of the descloizite and adelite groups: II -
 pyrobelonite.
;
_journal_name_full               'American Mineralogist'
_journal_page_first              580
_journal_page_last               596
_journal_volume                  40
_journal_year                    1955
_chemical_formula_sum            'H Mn O7 Pb V'
_chemical_name_mineral           Pyrobelonite
_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_formula_units_Z            4
_cell_length_a                   7.663
_cell_length_b                   6.191
_cell_length_c                   9.522
_cell_volume                     451.739
_database_code_amcsd             0000071
_exptl_crystal_density_diffrn    6.265
_cod_original_formula_sum        'Pb Mn V O7 H'
_cod_database_code               9000068
The structures of the minerals of the descloizite and adelite groups: III- brackebuschite
Donaldson, D. M.; Barnes, W. H.; American Mineralogist 40 (1955) 597–613; doi:

data_9000069
_publ_section_title
;
 The structures of the minerals of the descloizite and adelite groups: III-
 brackebuschite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              597
_journal_page_last               613
_journal_volume                  40
_journal_year                    1955
_chemical_formula_sum            'Mn O8 Pb2 V2'
_chemical_name_mineral           Brackebuschite
_space_group_IT_number           11
_space_group_name_Hall           '-P 2yb (1/2*x,y,-1/2*x+z)'
_space_group_name_H-M_alt        'B 1 21/m 1'
_symmetry_space_group_name_H-M   'B 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.75
_cell_angle_gamma                90
_cell_length_a                   7.681
_cell_length_b                   6.155
_cell_length_c                   16.524
_cell_formula_units_Z            4
_cell_volume                     779.525
_database_code_amcsd             0000072
_exptl_crystal_density_diffrn    5.958
_cod_original_formula_sum        'Pb2 V2 Mn O8'
_cod_database_code               9000069
A crystal chemical study of montroseite and paramontroseite.
Evans, H. T.; Mrose, M. E.; American Mineralogist 40 (1955) 861–875; doi:

data_9000070
_publ_section_title
;
 A crystal chemical study of montroseite and paramontroseite.
;
_journal_name_full               'American Mineralogist'
_journal_page_first              861
_journal_page_last               875
_journal_volume                  40
_journal_year                    1955
_chemical_formula_structural     VO(OH)
_chemical_formula_sum            'H O2 V'
_chemical_name_mineral           Montroseite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.54
_cell_length_b                   9.97
_cell_length_c                   3.03
_cell_volume                     137.149
_database_code_amcsd             0000073
_exptl_crystal_density_diffrn    4.066
_cod_original_formula_sum        'V (O2 H)'
_cod_database_code               9000070
A crystal chemical study of montroseite and paramontroseite.
Evans, H. T.; Mrose, M. E.; American Mineralogist 40 (1955) 861–875; doi:

data_9000071
_publ_section_title
;
 A crystal chemical study of montroseite and paramontroseite.
;
_journal_name_full               'American Mineralogist'
_journal_page_first              861
_journal_page_last               875
_journal_volume                  40
_journal_year                    1955
_chemical_formula_structural     VO2
_chemical_formula_sum            'O2 V'
_chemical_name_mineral           Paramontroseite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.89
_cell_length_b                   9.39
_cell_length_c                   2.93
_cell_formula_units_Z            4
_cell_volume                     134.537
_database_code_amcsd             0000074
_exptl_crystal_density_diffrn    4.095
_cod_original_formula_sum        'V O2'
_cod_database_code               9000071
The crystal structure of murdochite disordered model
Christ, C. L.; Clark, J. R.; American Mineralogist 40 (1955) 907–916; doi:

data_9000072
_publ_section_title
;
 The crystal structure of murdochite
 disordered model
;
_journal_name_full               'American Mineralogist'
_journal_page_first              907
_journal_page_last               916
_journal_volume                  40
_journal_year                    1955
_chemical_formula_structural     'Cu6 Pb (Br0.36 Cl0.64) O7.52'
_chemical_formula_sum            'Br0.36 Cl0.64 Cu6 O7.72 Pb'
_chemical_name_mineral           Murdochite
_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                   9.210
_cell_length_b                   9.210
_cell_length_c                   9.210
_cell_formula_units_Z            4
_cell_volume                     781.230
_database_code_amcsd             0000075
_exptl_crystal_density_diffrn    6.091
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_original_formula_sum        'Pb Cu5.999 O8'
_cod_database_code               9000072
The crystal structure of murdochite ordered model
Christ, C. L.; Clark, J. R.; American Mineralogist 40 (1955) 907–916; doi:

data_9000073
_publ_section_title
;
 The crystal structure of murdochite
 ordered model
;
_journal_name_full               'American Mineralogist'
_journal_page_first              907
_journal_page_last               916
_journal_volume                  40
_journal_year                    1955
_chemical_formula_structural     'Cu6Pb(Br0.36 Cl0.64)O7.52'
_chemical_formula_sum            'Br0.36 Cl0.64 Cu6 O7.72 Pb'
_chemical_name_mineral           Murdochite
_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                   9.210
_cell_length_b                   9.210
_cell_length_c                   9.210
_cell_formula_units_Z            4
_cell_volume                     781.230
_database_code_amcsd             0000076
_exptl_crystal_density_diffrn    6.092
_cod_original_formula_sum        'Pb Cu6 O8'
_cod_database_code               9000073
Redescription of the single layer structure of the micas
Pabst, A.; American Mineralogist 40 (1955) 967–974; doi:

data_9000074
_publ_section_title
;
 Redescription of the single layer structure of the micas
;
_journal_name_full               'American Mineralogist'
_journal_page_first              967
_journal_page_last               974
_journal_volume                  40
_journal_year                    1955
_chemical_formula_sum            'Al H2 K Mg3 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                 100.03
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.32
_cell_length_b                   9.21
_cell_length_c                   10.16
_cell_volume                     490.203
_database_code_amcsd             0000077
_exptl_crystal_density_diffrn    2.827
_cod_original_formula_sum        'K Mg3 (Si3 Al) O12 H2'
_cod_database_code               9000074
Osumilite, a new silicate mineral, and its crystal structure
Miyashiro, A.; American Mineralogist 41 (1956) 104–116; doi:

data_9000075
_publ_section_title
;
 Osumilite, a new silicate mineral, and its crystal structure
;
_journal_name_full               'American Mineralogist'
_journal_page_first              104
_journal_page_last               116
_journal_volume                  41
_journal_year                    1956
_chemical_formula_sum
'Al4.95 Ca0.12 Fe1.57 H K0.32 Mg1.48 Na0.35 O30 Si9'
_chemical_name_mineral           Osumilite
_space_group_IT_number           192
_symmetry_space_group_name_Hall  '-P 6 2c'
_symmetry_space_group_name_H-M   'P 6/m c c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   10.17
_cell_length_b                   10.17
_cell_length_c                   14.34
_cell_volume                     1284.463
_database_code_amcsd             0000078
_exptl_crystal_density_diffrn    2.628
_cod_original_formula_sum
'K.32 Na.35 Ca.12 Mg1.48 Fe1.57 Al4.95 Si9 O30 H'
_cod_database_code               9000075
Confirmation of the crystal structure of pentlandite.
Pearson, A. D.; Buerger, M. J.; American Mineralogist 41 (1956) 804–805; doi:

data_9000076
_publ_section_title
;
 Confirmation of the crystal structure of pentlandite.
;
_journal_name_full               'American Mineralogist'
_journal_page_first              804
_journal_page_last               805
_journal_volume                  41
_journal_year                    1956
_chemical_formula_sum            'Fe4.5 Ni4.5 S8'
_chemical_name_mineral           Pentlandite
_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                   10.030
_cell_length_b                   10.030
_cell_length_c                   10.030
_cell_formula_units_Z            4
_cell_volume                     1009.027
_database_code_amcsd             0000079
_exptl_crystal_density_diffrn    5.082
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_original_formula_sum        '(Ni4.5 Fe4.5) S8'
_cod_database_code               9000076
Smythite, a new iron sulfide, and associated pyrrhotite from Indiana
Erd, R. C.; Evans, H. T.; Richter, D. H.; American Mineralogist 42 (1957) 309–333; doi:

data_9000077
_publ_section_title
;
 Smythite, a new iron sulfide, and associated pyrrhotite from Indiana
;
_journal_name_full               'American Mineralogist'
_journal_page_first              309
_journal_page_last               333
_journal_volume                  42
_journal_year                    1957
_chemical_formula_sum            'Fe3 S4'
_chemical_name_mineral           Smythite
_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                   3.47
_cell_length_b                   3.47
_cell_length_c                   34.5
_cell_formula_units_Z            3
_cell_volume                     359.757
_database_code_amcsd             0000080
_exptl_crystal_density_diffrn    4.096
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_database_code               9000077