LMucko/crystallography-open-database huggingface dataset:
The crystal structure of a hexamethylene-diamine-vermiculite complex
Haase, D. J.; Weiss, E. J.; Steinfink, H.; American Mineralogist 48 (1963) 261–270; doi:

data_9000118
_publ_section_title
;
 The crystal structure of a hexamethylene-diamine-vermiculite complex
;
_journal_name_full               'American Mineralogist'
_journal_page_first              261
_journal_page_last               270
_journal_volume                  48
_journal_year                    1963
_chemical_formula_sum            'C12 Mg3 N4 O12 Si4'
_chemical_name_mineral           Vermiculite
_space_group_IT_number           5
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 97.0
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.33
_cell_length_b                   9.18
_cell_length_c                   17.12
_cell_volume                     831.427
_database_code_amcsd             0000122
_exptl_crystal_density_diffrn    2.306
_cod_original_formula_sum        'Mg3 Si4 O12 N4 C12'
_cod_database_code               9000118
The crystal structure determination of the zeolite gismondite. CaAl2Si2O8.4H2O
Fischer, K. F.; American Mineralogist 48 (1963) 664–672; doi:

data_9000119
_publ_section_title
;The crystal structure determination of the zeolite gismondite.
 CaAl2Si2O8.4H2O
;
_journal_name_full               'American Mineralogist'
_journal_page_first              664
_journal_page_last               672
_journal_volume                  48
_journal_year                    1963
_chemical_formula_sum            'Al2 Ca H8 O12 Si2'
_chemical_name_mineral           Gismondine
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 92.42
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.02
_cell_length_b                   10.62
_cell_length_c                   9.84
_cell_volume                     1046.164
_database_code_amcsd             0000123
_exptl_crystal_density_diffrn    2.237
_cod_original_formula_sum        'Si2 Al2 Ca O12 H10'
_cod_database_code               9000119
Refinement of the chrysoberyl structure
Farrell, E. F.; Fang, J. H.; Newnham, R. E.; American Mineralogist 48 (1963) 804–810; doi:

data_9000120
_publ_section_title
;
 Refinement of the chrysoberyl structure
;
_journal_name_full               'American Mineralogist'
_journal_page_first              804
_journal_page_last               810
_journal_volume                  48
_journal_year                    1963
_chemical_formula_sum            'Al2 Be O4'
_chemical_name_mineral           Chrysoberyl
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.404
_cell_length_b                   5.476
_cell_length_c                   4.427
_cell_formula_units_Z            4
_cell_volume                     227.974
_database_code_amcsd             0000124
_exptl_crystal_density_diffrn    3.699
_cod_database_code               9000120
Ixiolite - a columbite substructure sample M-6591, note that the coordinates have been put into a standard setting
Nickel, E. H.; Rowland, J. F.; McAdam, R. C.; American Mineralogist 48 (1963) 961–979; doi:

data_9000121
_publ_section_title
;Ixiolite - a columbite substructure sample M-6591, note that the coordinates
 have been put into a standard setting
;
_journal_name_full               'American Mineralogist'
_journal_page_first              961
_journal_page_last               979
_journal_volume                  48
_journal_year                    1963
_chemical_formula_sum
'Fe0.177 Mn0.12 Nb0.124 O2 Sn0.128 Ta0.438 Ti0.006 W0.001 Zr0.006'
_chemical_name_mineral           Ixiolite
_space_group_IT_number           60
_symmetry_space_group_name_Hall  '-P 2n 2c'
_symmetry_space_group_name_H-M   'P c a n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.731
_cell_length_b                   4.742
_cell_length_c                   5.152
_cell_formula_units_Z            4
_cell_volume                     140.013
_database_code_amcsd             0000125
_exptl_crystal_density_diffrn    7.375
_cod_original_formula_sum
'(Ta.438 Fe.177 Sn.128 Nb.124 Mn.12 Zr.006 Ti.006 W.001) O2'
_cod_database_code               9000121
Polymorphism of the kaolin minerals
Bailey, S. W.; American Mineralogist 48 (1963) 1196–1209; doi:

data_9000122
_publ_section_title
;
 Polymorphism of the kaolin minerals
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1196
_journal_page_last               1209
_journal_volume                  48
_journal_year                    1963
_chemical_formula_sum            'Al2 H4 O9 Si2'
_chemical_name_mineral           Dickite
_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                 103.58
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.150
_cell_length_b                   8.940
_cell_length_c                   14.736
_cell_volume                     659.492
_database_code_amcsd             0000126
_exptl_crystal_density_diffrn    2.600
_cod_original_formula_sum        'Si2 Al2 O9 H4'
_cod_database_code               9000122
Greigite, the thio-spinel of iron; a new mineral
Skinner, B. J.; Erd, R. C.; Grimaldi, F. S.; American Mineralogist 49 (1964) 543–555; doi:

data_9000123
_publ_section_title
;
 Greigite, the thio-spinel of iron; a new mineral
;
_journal_name_full               'American Mineralogist'
_journal_page_first              543
_journal_page_last               555
_journal_volume                  49
_journal_year                    1964
_chemical_formula_sum            'Fe3 S4'
_chemical_name_mineral           Greigite
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   9.876
_cell_length_b                   9.876
_cell_length_c                   9.876
_cell_volume                     963.259
_database_code_amcsd             0000127
_exptl_crystal_density_diffrn    4.079
_cod_original_cell_volume        963.260
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_database_code               9000123
On the cation and water positions in faujasite
Baur, W. H.; American Mineralogist 49 (1964) 697–704; doi:

data_9000124
_publ_section_title
;
 On the cation and water positions in faujasite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              697
_journal_page_last               704
_journal_volume                  49
_journal_year                    1964
_chemical_formula_sum            'Al1.8 Ca0.075 H1.333 Na0.15 O13.333 Si4.2'
_chemical_name_mineral           Faujasite-Na
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   24.74
_cell_length_b                   24.74
_cell_length_c                   24.74
_cell_formula_units_Z            32
_cell_volume                     15142.552
_database_code_amcsd             0000128
_exptl_crystal_density_diffrn    1.360
_cod_original_cell_volume        15142.551
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Si4.2 Al1.8) Na.15 Ca.075 O13.333 H1.333'
_cod_database_code               9000124
The crystal structure of tunellite, SrB6O9(OH)2.3H2O
Clark, J. R.; American Mineralogist 49 (1964) 1549–1568; doi:

data_9000125
_publ_section_title
;
 The crystal structure of tunellite, SrB6O9(OH)2.3H2O
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1549
_journal_page_last               1568
_journal_volume                  49
_journal_year                    1964
_chemical_compound_source
'Jenifer mine, Kramer borate district, California, USA'
_chemical_formula_sum            'B6 H8 O14 Sr'
_chemical_name_mineral           Tunellite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 114.03
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.390
_cell_length_b                   8.213
_cell_length_c                   9.934
_cell_volume                     1072.298
_database_code_amcsd             0000129
_exptl_crystal_density_diffrn    2.382
_cod_original_formula_sum        'Sr B6 O14 H8'
_cod_database_code               9000125
Studies of the torbernite minerals (I): The crystal structure of abernathyite and the structurally related compounds NH4(UO2AsO4).3H2O and K(H3O)(UO2AsO4)2.6H2O
Ross, M.; Evans, H. T.; American Mineralogist 49 (1964) 1578–1602; doi:

data_9000126
_publ_section_title
;Studies of the torbernite minerals (I): The crystal structure of abernathyite
 and the structurally related compounds NH4(UO2AsO4).3H2O and
 K(H3O)(UO2AsO4)2.6H2O
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1578
_journal_page_last               1602
_journal_volume                  49
_journal_year                    1964
_chemical_formula_sum            'As H3 K O9 U'
_chemical_name_mineral           Abernathyite
_space_group_IT_number           130
_symmetry_space_group_name_Hall  '-P 4a 2ac'
_symmetry_space_group_name_H-M   'P 4/n c c :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.176
_cell_length_b                   7.176
_cell_length_c                   18.126
_cell_volume                     933.398
_exptl_crystal_density_diffrn    3.551
_cod_original_sg_symbol_H-M      'P 4/n c c'
_cod_original_formula_sum        'As U O9 (K H3)'
_cod_database_code               9000126
_cod_duplicate_entry             9015986
_cod_related_optimal_entry_code  9015986
Studies of the torbernite minerals (I): The crystal structure of abernathyite and the structurally related compounds NH4(UO2AsO4).3H2O and K(H3O)(UO2AsO4)2.6H2O Sample : Abernathyite - NH4
Ross, M.; Evans, H. T.; American Mineralogist 49 (1964) 1578–1602; doi:

data_9000127
_publ_section_title
;Studies of the torbernite minerals (I): The crystal structure of abernathyite
 and the structurally related compounds NH4(UO2AsO4).3H2O and
 K(H3O)(UO2AsO4)2.6H2O Sample : Abernathyite - NH4
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1578
_journal_page_last               1602
_journal_volume                  49
_journal_year                    1964
_chemical_formula_sum            'As H3 N O9 U'
_chemical_name_mineral           Abernathyite
_space_group_IT_number           130
_symmetry_space_group_name_Hall  '-P 4a 2ac'
_symmetry_space_group_name_H-M   'P 4/n c c :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.189
_cell_length_b                   7.189
_cell_length_c                   18.191
_cell_volume                     940.142
_exptl_crystal_density_diffrn    3.349
_cod_original_sg_symbol_H-M      'P 4/n c c'
_cod_original_formula_sum        'As U O9 (N H3)'
_cod_database_code               9000127
_cod_duplicate_entry             9014290
_cod_related_optimal_entry_code  9014290
Studies of the torbernite minerals (I): The crystal structure of abernathyite and the structurally related compounds NH4(UO2AsO4).3H2O and K(H3O)(UO2AsO4)2.6H2O Sample: Abernathyite - K(H3O)
Ross, M.; Evans, H. T.; American Mineralogist 49 (1964) 1578–1602; doi:

data_9000128
_publ_section_title
;Studies of the torbernite minerals (I): The crystal structure of abernathyite
 and the structurally related compounds NH4(UO2AsO4).3H2O and
 K(H3O)(UO2AsO4)2.6H2O Sample: Abernathyite - K(H3O)
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1578
_journal_page_last               1602
_journal_volume                  49
_journal_year                    1964
_chemical_formula_sum            'As H3.5 K0.5 O9.5 U'
_chemical_name_mineral           Abernathyite
_space_group_IT_number           130
_symmetry_space_group_name_Hall  '-P 4a 2ac'
_symmetry_space_group_name_H-M   'P 4/n c c :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.171
_cell_length_b                   7.171
_cell_length_c                   18.048
_cell_volume                     928.087
_exptl_crystal_density_diffrn    3.493
_cod_original_sg_symbol_H-M      'P 4/n c c'
_cod_original_formula_sum        'As U O9.5 K.5 H3.5'
_cod_database_code               9000128
_cod_duplicate_entry             9014060
_cod_related_optimal_entry_code  9014060
Studies of the torbernite minerals (II): The crystal structure of meta-torbernite
Ross, M.; Evans, H. T.; Appleman, D. E.; American Mineralogist 49 (1964) 1603–1621; doi:

data_9000129
_publ_section_title
;
 Studies of the torbernite minerals (II): The crystal structure of
 meta-torbernite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1603
_journal_page_last               1621
_journal_volume                  49
_journal_year                    1964
_chemical_formula_sum            'Cu H4 O8 P U2'
_chemical_name_mineral           Metatorbernite
_space_group_IT_number           85
_symmetry_space_group_name_Hall  'P 4ab -1ab'
_symmetry_space_group_name_H-M   'P 4/n :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   6.969
_cell_length_b                   6.969
_cell_length_c                   17.306
_cell_volume                     840.500
_database_code_amcsd             0000133
_exptl_crystal_density_diffrn    11.105
_cod_original_sg_symbol_H-M      'P 4/n'
_cod_original_formula_sum        'P Cu U2 O8 H4'
_cod_database_code               9000129
The crystal structure of a marialite scapolite
Papike, J. J.; Zoltai, T.; American Mineralogist 50 (1965) 641–655; doi:

data_9000130
_publ_section_title
;
 The crystal structure of a marialite scapolite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              641
_journal_page_last               655
_journal_volume                  50
_journal_year                    1965
_chemical_formula_sum            'Al3.68 Ca0.76 Cl0.95 K0.08 Na3.16 O24 Si8.4'
_chemical_name_mineral           Marialite
_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                   12.060
_cell_length_b                   12.060
_cell_length_c                   7.572
_cell_formula_units_Z            2
_cell_volume                     1101.299
_database_code_amcsd             0000134
_exptl_crystal_density_diffrn    2.591
_cod_original_formula_sum        '(Na3.16 Ca.76 K.08) Si8.4 Al3.68 O24 Cl.95'
_cod_database_code               9000130
The crystal structures of synthetic anhydrous carnotite, K2(UO2)2V2O8, and its cesium analogue, Cs2(UO2)2V2O8
Appleman, D. E.; Evans, H. T.; American Mineralogist 50 (1965) 825–842; doi:

data_9000131
_publ_section_title
;
 The crystal structures of synthetic anhydrous carnotite, K2(UO2)2V2O8, and
 its cesium analogue, Cs2(UO2)2V2O8
;
_journal_name_full               'American Mineralogist'
_journal_page_first              825
_journal_page_last               842
_journal_volume                  50
_journal_year                    1965
_chemical_formula_sum            'Cs O6 U V'
_chemical_name_mineral           Margaritasite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 106.08
_cell_angle_gamma                90
_cell_length_a                   10.51
_cell_length_b                   8.45
_cell_length_c                   7.32
_cell_formula_units_Z            4
_cell_volume                     624.652
_database_code_amcsd             0000135
_exptl_crystal_density_diffrn    5.507
_cod_original_formula_sum        'Cs U V O6'
_cod_database_code               9000131
Chlorite polytypism: III. Crystal structure of an orthohexagonal iron chlorite
Shirozu, H.; Bailey, S. W.; American Mineralogist 50 (1965) 868–885; doi:

data_9000132
_publ_section_title
;Chlorite polytypism: III. Crystal structure of an orthohexagonal iron
 chlorite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              868
_journal_page_last               885
_journal_volume                  50
_journal_year                    1965
_chemical_formula_sum            'Al1.305 Fe1.71 H4 Mg0.645 O9 Si1.34'
_chemical_name_mineral           Greenalite
_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                 90.0
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.390
_cell_length_b                   9.336
_cell_length_c                   14.166
_cell_volume                     712.848
_database_code_amcsd             0000136
_exptl_crystal_density_diffrn    3.094
_cod_original_formula_sum        'Fe1.71 Mg.645 Al1.305 Si1.34 O9 H4'
_cod_database_code               9000132
The crystal structures of ordered and disordered cobaltite ordered, annealed after heating in a vacuum at 450 C
Giese, R. F.; Kerr, P. F.; American Mineralogist 50 (1965) 1002–1014; doi:

data_9000133
_publ_section_title
;
 The crystal structures of ordered and disordered cobaltite
 ordered, annealed after heating in a vacuum at 450 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1002
_journal_page_last               1014
_journal_volume                  50
_journal_year                    1965
_chemical_formula_sum            'As Co S'
_chemical_name_mineral           Cobaltite
_space_group_IT_number           29
_symmetry_space_group_name_Hall  'P 2c -2ac'
_symmetry_space_group_name_H-M   'P c a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.582
_cell_length_b                   5.582
_cell_length_c                   5.582
_cell_formula_units_Z            4
_cell_volume                     173.928
_database_code_amcsd             0000137
_exptl_crystal_density_diffrn    6.336
_exptl_crystal_thermal_history   'annealed after heating in a vacuum at 450 C'
_cod_original_formula_sum        'Co As S'
_cod_database_code               9000133
The crystal structures of ordered and disordered cobaltite disordered, annealed after heating in a vacuum to 850 C
Giese, R. F.; Kerr, P. F.; American Mineralogist 50 (1965) 1002–1014; doi:

data_9000134
_publ_section_title
;
 The crystal structures of ordered and disordered cobaltite
 disordered, annealed after heating in a vacuum to 850 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1002
_journal_page_last               1014
_journal_volume                  50
_journal_year                    1965
_chemical_formula_sum            'As Co S'
_chemical_name_mineral           Cobaltite
_space_group_IT_number           205
_symmetry_space_group_name_Hall  '-P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P a -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.582
_cell_length_b                   5.582
_cell_length_c                   5.582
_cell_formula_units_Z            4
_cell_volume                     173.928
_database_code_amcsd             0000138
_exptl_crystal_density_diffrn    6.336
_exptl_crystal_thermal_history   'annealed after heating in a vacuum to 850 C'
_cod_original_sg_symbol_H-M      'P a 3'
_cod_original_formula_sum        'Co (As S)'
_cod_database_code               9000134
Crystal structure of reedmergnerite, a boron albite, and its relation to feldspar crystal chemistry
Appleman, D. E.; Clark, J. R.; American Mineralogist 50 (1965) 1827–1850; doi:

data_9000135
_publ_section_title
;
 Crystal structure of reedmergnerite, a boron albite, and its relation to
 feldspar crystal chemistry
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1827
_journal_page_last               1850
_journal_volume                  50
_journal_year                    1965
_chemical_formula_sum            'B Na O8 Si3'
_chemical_name_mineral           Reedmergnerite
_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                93.308
_cell_angle_beta                 116.352
_cell_angle_gamma                92.055
_cell_formula_units_Z            4
_cell_length_a                   7.833
_cell_length_b                   12.360
_cell_length_c                   6.803
_cell_volume                     587.819
_database_code_amcsd             0000139
_exptl_crystal_density_diffrn    2.780
_cod_original_formula_sum        'Na B Si3 O8'
_cod_database_code               9000135
The crystal structure of laueite, MnFe2(OH)2(PO4)2(H2O)6.2H2O
Moore, P. B.; American Mineralogist 50 (1965) 1884–1892; doi:

data_9000136
_publ_section_title
;
 The crystal structure of laueite, MnFe2(OH)2(PO4)2(H2O)6.2H2O
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1884
_journal_page_last               1892
_journal_volume                  50
_journal_year                    1965
_chemical_formula_sum            'Fe2 H4 Mn O18 P2'
_chemical_name_mineral           Laueite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                107.92
_cell_angle_beta                 110.98
_cell_angle_gamma                71.12
_cell_formula_units_Z            1
_cell_length_a                   5.28
_cell_length_b                   10.66
_cell_length_c                   7.14
_cell_volume                     346.573
_database_code_amcsd             0000140
_exptl_crystal_density_diffrn    2.481
_cod_original_formula_sum        'Mn Fe2 P2 O18 H4'
_cod_database_code               9000136