LMucko/crystallography-open-database huggingface dataset:
The crystal structure of krausite, KFe(SO4)2.H2O
Graeber, E. J.; Morosin, B.; Rosenzweig, A.; American Mineralogist 50 (1965) 1929–1936; doi:

data_9000137
_publ_section_title
;
 The crystal structure of krausite, KFe(SO4)2.H2O
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1929
_journal_page_last               1936
_journal_volume                  50
_journal_year                    1965
_chemical_formula_sum            'Fe H2 K O9 S2'
_chemical_name_mineral           Krausite
_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                 102.75
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.908
_cell_length_b                   5.152
_cell_length_c                   8.988
_cell_volume                     357.160
_database_code_amcsd             0000141
_exptl_crystal_density_diffrn    2.837
_cod_original_formula_sum        'Fe K S2 O9 H2'
_cod_database_code               9000137
Refinement of the crystal structure of synthetic pyrope refinement D, note that temperature factors reported for Si were labelled incorrectly in the paper
Gibbs, G. V.; Smith, J. V.; American Mineralogist 50 (1965) 2023–2039; doi:

data_9000138
_publ_section_title
;
 Refinement of the crystal structure of synthetic pyrope
 refinement D, note that temperature factors reported for Si were labelled
 incorrectly in the paper
;
_journal_name_full               'American Mineralogist'
_journal_page_first              2023
_journal_page_last               2039
_journal_volume                  50
_journal_year                    1965
_chemical_formula_sum            'Al2 Mg3 O12 Si3'
_chemical_name_mineral           Pyrope
_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                   11.459
_cell_length_b                   11.459
_cell_length_c                   11.459
_cell_formula_units_Z            8
_cell_volume                     1504.666
_database_code_amcsd             0000142
_exptl_crystal_density_diffrn    3.559
_cod_original_formula_sum        'Al2 Mg3 Si3 O12'
_cod_database_code               9000138
Refinement of the hematite structure
Blake, R. L.; Hessevick, R. E.; Zoltai, T.; Finger, L. W.; American Mineralogist 51 (1966) 123–129; doi:

data_9000139
_publ_section_title
;
 Refinement of the hematite structure
;
_journal_name_full               'American Mineralogist'
_journal_page_first              123
_journal_page_last               129
_journal_volume                  51
_journal_year                    1966
_chemical_compound_source        'Elba, Italy'
_chemical_formula_sum            'Fe2 O3'
_chemical_name_mineral           Hematite
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   5.038
_cell_length_b                   5.038
_cell_length_c                   13.772
_cell_formula_units_Z            6
_cell_volume                     302.722
_database_code_amcsd             0000143
_exptl_crystal_density_diffrn    5.256
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_database_code               9000139
The crystal structure of metastrengite and its relationship to strengite and phosphophyllite
Moore, P. B.; American Mineralogist 51 (1966) 168–176; doi:

data_9000140
_publ_section_title
;
 The crystal structure of metastrengite and its relationship to strengite and
 phosphophyllite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              168
_journal_page_last               176
_journal_volume                  51
_journal_year                    1966
_chemical_formula_sum            'Fe H4 O6 P'
_chemical_name_mineral           Phosphosiderite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.60
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.30
_cell_length_b                   9.77
_cell_length_c                   8.73
_cell_volume                     452.023
_database_code_amcsd             0000144
_exptl_crystal_density_diffrn    2.746
_cod_original_formula_sum        'Fe P (O6 H4)'
_cod_database_code               9000140
A further refinement of the crystal structure of cummingtonite (Mg,Fe)7(Si4O11)2(OH)2
Fischer, K. F.; American Mineralogist 51 (1966) 814–818; doi:

data_9000141
_publ_section_title
;
 A further refinement of the crystal structure of cummingtonite
 (Mg,Fe)7(Si4O11)2(OH)2
;
_journal_name_full               'American Mineralogist'
_journal_page_first              814
_journal_page_last               818
_journal_volume                  51
_journal_year                    1966
_chemical_formula_sum            'Fe2.32 Mg4.68 O24 Si8'
_chemical_name_mineral           Cummingtonite
_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                 101.9
_cell_angle_gamma                90
_cell_length_a                   9.51
_cell_length_b                   18.19
_cell_length_c                   5.33
_cell_formula_units_Z            2
_cell_volume                     902.205
_database_code_amcsd             0000145
_exptl_crystal_density_diffrn    3.136
_cod_original_formula_sum        'Si8 (Mg4.68 Fe2.32) O24'
_cod_database_code               9000141
Refinement of the structure of sulvanite Note: symmetry constraints on B(i,j) reported incorrectly
Trojer, F. J.; American Mineralogist 51 (1966) 890–894; doi:

data_9000142
_publ_section_title
;
 Refinement of the structure of sulvanite
 Note: symmetry constraints on B(i,j) reported incorrectly
;
_journal_name_full               'American Mineralogist'
_journal_page_first              890
_journal_page_last               894
_journal_volume                  51
_journal_year                    1966
_chemical_formula_sum            'Cu3 S4 V'
_chemical_name_mineral           Sulvanite
_space_group_IT_number           215
_symmetry_space_group_name_Hall  'P -4 2 3'
_symmetry_space_group_name_H-M   'P -4 3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.3912
_cell_length_b                   5.3912
_cell_length_c                   5.3912
_cell_formula_units_Z            1
_cell_volume                     156.695
_database_code_amcsd             0000146
_exptl_crystal_density_diffrn    3.919
_cod_original_formula_sum        'Cu3 V S4'
_cod_database_code               9000142
The crystal structure of jadeite, NaAlSi2O6
Prewitt, C. T.; Burnham, C. W.; American Mineralogist 51 (1966) 956–975; doi:

data_9000143
_publ_section_title
;
 The crystal structure of jadeite, NaAlSi2O6
;
_journal_name_full               'American Mineralogist'
_journal_page_first              956
_journal_page_last               975
_journal_volume                  51
_journal_year                    1966
_chemical_formula_sum            'Al Na O6 Si2'
_chemical_name_mineral           Jadeite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 107.58
_cell_angle_gamma                90
_cell_length_a                   9.418
_cell_length_b                   8.562
_cell_length_c                   5.219
_cell_formula_units_Z            4
_cell_volume                     401.189
_database_code_amcsd             0000147
_exptl_crystal_density_diffrn    3.347
_cod_original_formula_sum        'Na Al Si2 O6'
_cod_database_code               9000143
The crystal structure of mizzonite, a calcium- and carbonate-rich scapolite
Papike, J. J.; Stephenson, N. C.; American Mineralogist 51 (1966) 1014–1027; doi:

data_9000144
_publ_section_title
;
 The crystal structure of mizzonite, a calcium- and carbonate-rich scapolite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1014
_journal_page_last               1027
_journal_volume                  51
_journal_year                    1966
_chemical_formula_sum
'C0.83 Al5.32 Ca2.68 Cl0.02 K0.44 Mg0.12 Na0.76 O27.09 S0.15 Si6.68'
_chemical_name_mineral           Mizzonite
_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_length_a                   12.169
_cell_length_b                   12.169
_cell_length_c                   7.569
_cell_formula_units_Z            2
_cell_volume                     1120.852
_database_code_amcsd             0000148
_exptl_crystal_density_diffrn    2.741
_cod_original_formula_sum
'(Ca2.68 Na.76 K.44 Mg.12) (Si6.68 Al5.32) O27.09 (C.83 S.15 Cl.02)'
_cod_database_code               9000144
The polymorphism of cordierite I: The crystal structure of low cordierite
Gibbs, G. V.; American Mineralogist 51 (1966) 1068–1087; doi:

data_9000145
_publ_section_title
;
 The polymorphism of cordierite I: The crystal structure of low cordierite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1068
_journal_page_last               1087
_journal_volume                  51
_journal_year                    1966
_chemical_formula_sum
'Al4 Ca0.03 Fe0.46 H0.96 K0.02 Li0.12 Mg1.54 Na0.1 O18.48 Si5'
_chemical_name_mineral           Cordierite
_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            4
_cell_length_a                   17.083
_cell_length_b                   9.738
_cell_length_c                   9.335
_cell_volume                     1552.917
_exptl_crystal_density_diffrn    2.620
_cod_original_formula_sum
'Al4 Si5 (Mg1.54 Fe.46) O18.48 Li.12 Na.1 Ca.03 K.02 H.3'
_cod_database_code               9000145
_database_code_amcsd 0000149
Crystal structure of a two-layer Mg-vermiculite
Shirozu, H.; Bailey, S. W.; American Mineralogist 51 (1966) 1124–1143; doi:

data_9000146
_publ_section_title
;
 Crystal structure of a two-layer Mg-vermiculite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1124
_journal_page_last               1143
_journal_volume                  51
_journal_year                    1966
_chemical_formula_sum            'Al0.57 H1.4 Mg1.705 O7.86 Si1.43'
_chemical_name_mineral           Vermiculite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 97.12
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   5.349
_cell_length_b                   9.255
_cell_length_c                   28.89
_cell_volume                     1419.171
_database_code_amcsd             0000150
_exptl_crystal_density_diffrn    2.098
_cod_original_formula_sum        'Mg1.705 (Si1.43 Al.57) O7.86 H1.4'
_cod_database_code               9000146
The crystal structure of fluellite, Al2PO4F2(OH).7H2O
Guy, B. B.; Jeffrey, G. A.; American Mineralogist 51 (1966) 1579–1592; doi:

data_9000147
_publ_section_title
;
 The crystal structure of fluellite, Al2PO4F2(OH).7H2O
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1579
_journal_page_last               1592
_journal_volume                  51
_journal_year                    1966
_chemical_formula_sum            'Al2 F2 H17.24 O12 P'
_chemical_name_mineral           Fluellite
_space_group_IT_number           70
_symmetry_space_group_name_Hall  '-F 2uv 2vw'
_symmetry_space_group_name_H-M   'F d d d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.546
_cell_length_b                   11.222
_cell_length_c                   21.158
_cell_formula_units_Z            8
_cell_volume                     2029.120
_database_code_amcsd             0000151
_exptl_crystal_density_diffrn    2.176
_cod_original_sg_symbol_H-M      'F d d d'
_cod_original_formula_sum        'Al2 P O12 F2 H17.24'
_cod_database_code               9000147
The crystal structure of cheralite
Finney, J. J.; Rao, N. N.; American Mineralogist 52 (1967) 13–19; doi:

data_9000148
_publ_section_title
;
 The crystal structure of cheralite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              13
_journal_page_last               19
_journal_volume                  52
_journal_year                    1967
_chemical_formula_sum
'Ca0.32 Ce0.15 La0.14 O4 P0.96 Pb0.01 Si0.04 Th0.33 U0.05'
_chemical_name_mineral           Cheralite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 103.83
_cell_angle_gamma                90
_cell_length_a                   6.717
_cell_length_b                   6.920
_cell_length_c                   6.434
_cell_formula_units_Z            4
_cell_volume                     290.393
_database_code_amcsd             0000152
_exptl_crystal_density_diffrn    5.460
_cod_original_formula_sum
'(Ce.15 La.14 Th.33 Ca.32 Pb.01 U.05) (P.96 Si.04) O4'
_cod_database_code               9000148
Refinement of the crystal structure of a pyroxene of formula M1M2(Si1.5Al0.5)O6
Peacor, D. R.; American Mineralogist 52 (1967) 31–41; doi:

data_9000149
_publ_section_title
;Refinement of the crystal structure of a pyroxene of formula
 M1M2(Si1.5Al0.5)O6
;
_journal_name_full               'American Mineralogist'
_journal_page_first              31
_journal_page_last               41
_journal_volume                  52
_journal_year                    1967
_chemical_formula_sum
'Al0.64 Ca0.98 Fe0.22 Mg0.57 Mn0.01 Na0.01 O6 Si1.5 Ti0.07'
_chemical_name_mineral           Clinopyroxene
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 105.90
_cell_angle_gamma                90
_cell_length_a                   9.794
_cell_length_b                   8.906
_cell_length_c                   5.319
_cell_formula_units_Z            4
_cell_volume                     446.202
_database_code_amcsd             0000153
_exptl_crystal_density_diffrn    3.348
_cod_original_formula_sum
'Mg.57 Fe.22 Al.64 Ti.07 (Ca.98 Mn.01 Na.01) Si1.5 O6'
_cod_database_code               9000149
The crystal structure of heulandite (Ca,Na2)[Al2Si7O18].6H2O
Merkle, A. B.; Slaughter, M.; American Mineralogist 52 (1967) 273–276; doi:

data_9000150
_publ_section_title
;
 The crystal structure of heulandite (Ca,Na2)[Al2Si7O18].6H2O
;
_journal_name_full               'American Mineralogist'
_journal_page_first              273
_journal_page_last               276
_journal_volume                  52
_journal_year                    1967
_chemical_formula_sum            'Al1.602 Ca H11.333 O16.002 Si4.398'
_chemical_name_mineral           Heulandite-Ca
_space_group_IT_number           8
_symmetry_space_group_name_Hall  'C -2y'
_symmetry_space_group_name_H-M   'C 1 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 116.33
_cell_angle_gamma                90
_cell_formula_units_Z            6
_cell_length_a                   17.73
_cell_length_b                   17.82
_cell_length_c                   7.43
_cell_volume                     2103.955
_database_code_amcsd             0000154
_exptl_crystal_density_diffrn    2.246
_cod_original_formula_sum        'Ca (Si4.398 Al1.602) O16.002 H11.333'
_cod_database_code               9000150
Structural aspects of dioctahedral chlorite
Eggleton, R. A.; Bailey, S. W.; American Mineralogist 52 (1967) 673–689; doi:

data_9000151
_publ_section_title
;
 Structural aspects of dioctahedral chlorite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              673
_journal_page_last               689
_journal_volume                  52
_journal_year                    1967
_chemical_formula_sum            'Al3.37 H8 Mg2.31 O18 Si3.32'
_chemical_name_mineral           Sudoite
_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                 97.03
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.237
_cell_length_b                   9.070
_cell_length_c                   14.285
_cell_volume                     673.431
_database_code_amcsd             0000155
_exptl_crystal_density_diffrn    2.645
_cod_original_formula_sum        'Si3.32 Al3.37 Mg2.31 O18 H8'
_cod_database_code               9000151
Refinement of the crystal structure of johannsenite
Freed, R. L.; Peacor, D. R.; American Mineralogist 52 (1967) 709–720; doi:

data_9000152
_publ_section_title
;
 Refinement of the crystal structure of johannsenite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              709
_journal_page_last               720
_journal_volume                  52
_journal_year                    1967
_chemical_formula_sum            'Ca Mn O6 Si2'
_chemical_name_mineral           Johannsenite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 105.48
_cell_angle_gamma                90
_cell_length_a                   9.978
_cell_length_b                   9.156
_cell_length_c                   5.293
_cell_formula_units_Z            4
_cell_volume                     466.019
_database_code_amcsd             0000156
_exptl_crystal_density_diffrn    3.523
_cod_original_formula_sum        'Ca Mn Si2 O6'
_cod_database_code               9000152
Ordering of tetrahedral aluminium in prehnite, Ca2(Al,Fe)[Si3AlO10](OH)2
Papike, J. J.; Zoltai, T.; American Mineralogist 52 (1967) 974–984; doi:

data_9000153
_publ_section_title
;
 Ordering of tetrahedral aluminium in prehnite, Ca2(Al,Fe)[Si3AlO10](OH)2
;
_journal_name_full               'American Mineralogist'
_journal_page_first              974
_journal_page_last               984
_journal_volume                  52
_journal_year                    1967
_chemical_formula_sum            'Al2 Ca2 H2 O12 Si3'
_chemical_name_mineral           Prehnite
_space_group_IT_number           53
_symmetry_space_group_name_Hall  '-P 2 2bc'
_symmetry_space_group_name_H-M   'P n c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.646
_cell_length_b                   5.483
_cell_length_c                   18.486
_cell_volume                     470.913
_database_code_amcsd             0000157
_exptl_crystal_density_diffrn    2.908
_cod_original_formula_sum        'Ca2 Al2 Si3 O12 H2'
_cod_database_code               9000153
Refinement of the crystal structure of a glauberite
Araki, T.; Zoltai, T.; American Mineralogist 52 (1967) 1272–1277; doi:

data_9000154
_publ_section_title
;
 Refinement of the crystal structure of a glauberite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1272
_journal_page_last               1277
_journal_volume                  52
_journal_year                    1967
_chemical_compound_source        'Imperial County, California, USA'
_chemical_formula_sum            'Ca Na2 O8 S2'
_chemical_name_mineral           Glauberite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 112.19
_cell_angle_gamma                90
_cell_length_a                   10.129
_cell_length_b                   8.306
_cell_length_c                   8.533
_cell_formula_units_Z            4
_cell_volume                     664.724
_database_code_amcsd             0000158
_exptl_crystal_density_diffrn    2.780
_cod_original_formula_sum        'Ca Na2 S2 O8'
_cod_database_code               9000154
Crystal structure and optical properties of pollucite
Newnham, R. E.; American Mineralogist 52 (1967) 1515–1518; doi:

data_9000155
_publ_section_title
;
 Crystal structure and optical properties of pollucite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1515
_journal_page_last               1518
_journal_volume                  52
_journal_year                    1967
_chemical_formula_sum            'Al0.99 Cs0.7 Na0.3 O6 Si2.01'
_chemical_name_mineral           Pollucite
_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                   13.682
_cell_length_b                   13.682
_cell_length_c                   13.682
_cell_formula_units_Z            16
_cell_volume                     2561.231
_database_code_amcsd             0000159
_exptl_crystal_density_diffrn    2.895
_cod_original_formula_sum        '(Cs.7 Na.3) (Al.99 Si2.01) O6'
_cod_database_code               9000155
Crystal chemistry of the basic manganese arsenate minerals 1. The crystal structures of flinkite, Mn2Mn(OH)4(AsO4) and retzian, Mn2Y(OH)4(AsO4)
Moore, P. B.; American Mineralogist 52 (1967) 1603–1613; doi:

data_9000156
_publ_section_title
;
 Crystal chemistry of the basic manganese arsenate minerals 1. The crystal
 structures of flinkite, Mn2Mn(OH)4(AsO4) and retzian, Mn2Y(OH)4(AsO4)
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1603
_journal_page_last               1613
_journal_volume                  52
_journal_year                    1967
_chemical_formula_sum            'As H4 Mn3 O8'
_chemical_name_mineral           Flinkite
_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                   9.55
_cell_length_b                   13.11
_cell_length_c                   5.25
_cell_volume                     657.303
_database_code_amcsd             0000160
_exptl_crystal_density_diffrn    3.757
_cod_original_formula_sum        'Mn3 As (O8 H4)'
_cod_database_code               9000156