LMucko/crystallography-open-database huggingface dataset:
Redetermination of katayamalite, KLi3Ca7Ti2(SiO3)12(OH)2
Andrade, M. B.; Doell, D.; Downs, R. T.; Yang, H.; Acta Crystallographica, Section E 69 (2013) i41–i41; doi:

data_9017349
_publ_section_title
;
 Redetermination of katayamalite, KLi3Ca7Ti2(SiO3)12(OH)2
;
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              i41
_journal_page_last               i41
_journal_volume                  69
_journal_year                    2013
_chemical_compound_source
'Iwagi Island, Inland Sea, Ehime Prefecture, Japan'
_chemical_formula_sum
'Ca7 F0.4 Fe0.04 H1.4 K0.89 Li3 Na0.12 O37.4 Si12 Sn0.02 Ti1.8 Zr0.14'
_chemical_name_mineral           Katayamalite
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 112.396
_cell_angle_gamma                90
_cell_length_a                   16.9093
_cell_length_b                   9.7287
_cell_length_c                   20.9019
_cell_formula_units_Z            4
_cell_volume                     3179.122
_database_code_amcsd             0019864
_exptl_crystal_density_diffrn    2.898
_cod_data_source_file            inputs/fixed/downloads/12/12206.cif
_cod_data_source_block           12206
_cod_original_formula_sum
'K.89 Na.12 Li3 Ca7 (Ti1.8 Zr.14 Fe.04 Sn.02) Si12 O37.4 F.4 H1.4'
_cod_database_code               9017349
Agardite-(Y), Cu2+6Y(AsO4)3(OH)6*3H2O
Morrison, S. M.; Domanik, K. J.; Origlieri, M. J.; Downs, R. T.; Acta Crystallographica, Section E 69 (2013) i61–i62; doi:

data_9017350
_publ_section_title
;
 Agardite-(Y), Cu2+6Y(AsO4)3(OH)6*3H2O
;
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              i61
_journal_page_last               i62
_journal_volume                  69
_journal_year                    2013
_chemical_compound_source
'Jote West mine, Pampa Larga Mining District, Copiapo, Chile'
_chemical_formula_sum
'As2.484 Ca0.43 Cu6 Dy0.01 Er0.02 H12.002 Ho0.01 O21.001 P0.516 Y0.52 Yb0.01'
_chemical_name_mineral           Agardite-(Y)
_space_group_IT_number           176
_space_group_name_Hall           '-P 6c'
_space_group_name_H-M_alt        'P 63/m'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   13.5059
_cell_length_b                   13.5059
_cell_length_c                   5.8903
_cell_volume                     930.497
_database_code_amcsd             0019941
_exptl_crystal_density_diffrn    3.581
_cod_data_source_file            inputs/fixed/downloads/12/12207.cif
_cod_data_source_block           12207
_cod_original_formula_sum
'Cu6 (Y.52 Er.02 Dy.01 Yb.01 Ho.01 Ca.43) (As2.484 P.516) O21.001 H12.002'
_cod_database_code               9017350
Calcioferrite with composition (Ca3.94Sr0.06)Mg1.01(Fe2.93Al1.07)(PO4)6(OH)4*12H2O
Lafuente, B.; Downs, R. T.; Yang H and Jenkins, R. A.; Acta Crystallographica, Section E 70 (2014) 116–117; doi:

data_9017351
_publ_section_title
;
 Calcioferrite with composition (Ca3.94Sr0.06)Mg1.01(Fe2.93Al1.07)(PO4)6(OH)4*12H2O
;
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              116
_journal_page_last               117
_journal_volume                  70
_journal_year                    2014
_chemical_compound_source        'Moculta quarry, Angaston, Australia'
_chemical_formula_sum
'Al0.534 Ca1.97 Fe1.465 H14 Mg0.5 O20 P3 Sr0.03'
_chemical_name_mineral           Calcioferrite
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.161
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.1936
_cell_length_b                   24.1959
_cell_length_c                   6.3218
_cell_volume                     1558.910
_database_code_amcsd             0020012
_exptl_crystal_density_diffrn    2.629
_cod_data_source_file            inputs/fixed/downloads/12/12210.cif
_cod_data_source_block           12210
_cod_original_formula_sum        'Ca1.97 Sr.03 Mg.5 Fe1.465 Al.534 P3 O20 H14'
_cod_database_code               9017351
Redetermination of brackebuschite, Pb2Mn3+(VO4)2(OH)
Lafuente, B.; Downs, R. T.; Acta Crystallographica, Section E 72 (2016) 293–296; doi:

data_9017352
_publ_section_title
;
 Redetermination of brackebuschite, Pb2Mn3+(VO4)2(OH)
;
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              293
_journal_page_last               296
_journal_volume                  72
_journal_year                    2016
_chemical_compound_source        'Sierra de Cordoba, Argentina'
_chemical_formula_sum            'As0.02 Fe0.09 H Mn0.82 O9 Pb2 V1.98 Zn0.09'
_chemical_name_mineral           Brackebuschite
_space_group_IT_number           11
_space_group_name_Hall           '-P 2yb'
_space_group_name_H-M_alt        'P 1 21/m 1'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 112.195
_cell_angle_gamma                90
_cell_length_a                   7.6492
_cell_length_b                   6.1262
_cell_length_c                   8.9241
_cell_formula_units_Z            2
_cell_volume                     387.202
_database_code_amcsd             0020434
_exptl_crystal_density_diffrn    6.156
_cod_data_source_file            inputs/fixed/downloads/12/12213.cif
_cod_data_source_block           12213
_cod_original_formula_sum        'Pb2 (Mn.82 Fe.09 Zn.09) (V1.98 As.02) O9 H'
_cod_database_code               9017352
Redetermination of ruizite, Ca2Mn3+2[Si4O11(OH)](OH)2*2H2O
Fendrich, K. V.; Downs, R. T.; Origlieri, M. J.; Acta Crystallographica, Section E 72 (2016) 959–963; doi:

data_9017353
_publ_section_title
;
 Redetermination of ruizite, Ca2Mn3+2[Si4O11(OH)](OH)2*2H2O
;
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              959
_journal_page_last               963
_journal_volume                  72
_journal_year                    2016
_chemical_compound_source
'Wessels mine, Northern Cape Province, South Africa'
_chemical_formula_sum
'Al0.05 Ca1.9 Fe0.07 H8 Mg0.04 Mn1.88 O17 Si4 Sr0.06'
_chemical_name_mineral           Ruizite
_space_group_IT_number           5
_space_group_name_Hall           'C 2y'
_space_group_name_H-M_alt        'C 1 2 1'
_symmetry_space_group_name_H-M   'C 1 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.433
_cell_angle_gamma                90
_cell_length_a                   9.0360
_cell_length_b                   6.1683
_cell_length_c                   11.9601
_cell_formula_units_Z            2
_cell_volume                     666.409
_database_code_amcsd             0020603
_exptl_crystal_density_diffrn    2.907
_cod_data_source_file            inputs/fixed/downloads/12/12214.cif
_cod_data_source_block           12214
_cod_original_formula_sum
'(Ca1.9 Sr.06 Mg.04) (Mn1.88 Fe.07 Al.05) Si4 O17 H8'
_cod_database_code               9017353
Redetermination of metarossite, CaV5+2O6*2H2O
Kobsch, A.; Downs, R. T.; Domanik, K. J.; Acta Crystallographica, Section E 72 (2016) 1280–1284; doi:

data_9017354
_publ_section_title
;
 Redetermination of metarossite, CaV5+2O6*2H2O
;
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              1280
_journal_page_last               1284
_journal_volume                  72
_journal_year                    2016
_chemical_compound_source        'Blue Cap mine, San Juan County, Utah, USA'
_chemical_formula_sum            'Ca0.968 H4 O8 V1.885'
_chemical_name_mineral           Metarossite
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                93.166
_cell_angle_beta                 96.548
_cell_angle_gamma                105.883
_cell_formula_units_Z            2
_cell_length_a                   6.2059
_cell_length_b                   7.0635
_cell_length_c                   7.7516
_cell_volume                     323.359
_database_code_amcsd             0020635
_exptl_crystal_density_diffrn    2.741
_cod_data_source_file            inputs/fixed/downloads/12/12215.cif
_cod_data_source_block           12215
_cod_original_formula_sum        'Ca.968 V1.885 O8 H4'
_cod_database_code               9017354
Crystal structure of babingtonite
Araki, T.; Zoltai, T.; Zeitschrift fur Kristallographie 135 (1972) 355–373; doi:

data_9017355
_publ_section_title
;
 Crystal structure of babingtonite
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              355
_journal_page_last               373
_journal_volume                  135
_journal_year                    1972
_chemical_compound_source        'Yakuki mine, Japan'
_chemical_formula_sum
'Al0.09 Ca1.925 Fe1.615 H K0.015 Mg0.13 Mn0.3 Na0.015 O15 Si4.915'
_chemical_name_mineral           Babingtonite
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                91.433
_cell_angle_beta                 93.886
_cell_angle_gamma                104.255
_cell_formula_units_Z            2
_cell_length_a                   7.509
_cell_length_b                   11.697
_cell_length_c                   6.719
_cell_volume                     570.132
_database_code_amcsd             0010730
_exptl_crystal_density_diffrn    3.317
_cod_data_source_file            inputs/fixed/downloads/12/12790.cif
_cod_data_source_block           12790
_cod_original_formula_sum
'Ca1.925 Mn.3 Na.015 K.015 Fe1.615 Mg.13 Al.09 Si4.915 (O15 H)'
_cod_database_code               9017355
Crystal structure refinements of magnesite, calcite, rhodochrosite, siderite, smithsonite, and dolomite, with discussion of some aspects of the stereochemistry of calcite type carbonates
Effenberger, H.; Mereiter, K.; Zemann, J.; Zeitschrift fur Kristallographie 156 (1981) 233–243; doi:

data_9017356
_publ_section_title
;
 Crystal structure refinements of magnesite, calcite, rhodochrosite, siderite,
 smithsonite, and dolomite, with discussion of some aspects of the
 stereochemistry of calcite type carbonates
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              233
_journal_page_last               243
_journal_volume                  156
_journal_year                    1981
_chemical_compound_source        'Pberdorf, Styria, Austria'
_chemical_formula_sum            'C2 Ca Fe0.05 Mg0.94 Mn0.01 O6'
_chemical_name_mineral           Dolomite
_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 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.812
_cell_length_b                   4.812
_cell_length_c                   16.020
_cell_formula_units_Z            3
_cell_volume                     321.251
_database_code_amcsd             0020832
_exptl_crystal_density_diffrn    2.889
_cod_data_source_file            inputs/fixed/downloads/12/12907.cif
_cod_data_source_block           12907
_cod_original_sg_symbol_H-M      'R -3'
_cod_original_formula_sum        'Ca (Mg.94 Fe.05 Mn.01) C2 O6'
_cod_database_code               9017356
Crystal structure refinements of magnesite, calcite, rhodochrosite, siderite, smithsonite, and dolomite, with discussion of some aspects of the stereochemistry of calcite type carbonates
Effenberger, H.; Mereiter, K.; Zemann, J.; Zeitschrift fur Kristallographie 156 (1981) 233–243; doi:

data_9017357
_publ_section_title
;
 Crystal structure refinements of magnesite, calcite, rhodochrosite, siderite,
 smithsonite, and dolomite, with discussion of some aspects of the
 stereochemistry of calcite type carbonates
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              233
_journal_page_last               243
_journal_volume                  156
_journal_year                    1981
_chemical_compound_source        'Tsumeb, Namibia'
_chemical_formula_sum            'C Fe0.02 Mg0.01 O3 Zn0.97'
_chemical_name_mineral           Smithsonite
_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 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.6526
_cell_length_b                   4.6526
_cell_length_c                   15.0257
_cell_formula_units_Z            6
_cell_volume                     281.680
_database_code_amcsd             0020833
_exptl_crystal_density_diffrn    4.414
_cod_data_source_file            inputs/fixed/downloads/12/12908.cif
_cod_data_source_block           12908
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        '(Zn.97 Mg.01 Fe.02) C O3'
_cod_database_code               9017357
Crystal structure refinements of magnesite, calcite, rhodochrosite, siderite, smithsonite, and dolomite, with discussion of some aspects of the stereochemistry of calcite type carbonates
Effenberger, H.; Mereiter, K.; Zemann, J.; Zeitschrift fur Kristallographie 156 (1981) 233–243; doi:

data_9017358
_publ_section_title
;
 Crystal structure refinements of magnesite, calcite, rhodochrosite, siderite,
 smithsonite, and dolomite, with discussion of some aspects of the
 stereochemistry of calcite type carbonates
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              233
_journal_page_last               243
_journal_volume                  156
_journal_year                    1981
_chemical_compound_source        'Alicante, Spain'
_chemical_formula_sum            'C Fe0.06 Mg0.01 Mn0.93 O3'
_chemical_name_mineral           Rhodochrosite
_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 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.7682
_cell_length_b                   4.7682
_cell_length_c                   15.6354
_cell_formula_units_Z            6
_cell_volume                     307.857
_database_code_amcsd             0020834
_exptl_crystal_density_diffrn    3.712
_cod_data_source_file            inputs/fixed/downloads/12/12909.cif
_cod_data_source_block           12909
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        '(Mn.93 Mg.01 Fe.06) C O3'
_cod_database_code               9017358
Crystal structure refinements of magnesite, calcite, rhodochrosite, siderite, smithsonite, and dolomite, with discussion of some aspects of the stereochemistry of calcite type carbonates
Effenberger, H.; Mereiter, K.; Zemann, J.; Zeitschrift fur Kristallographie 156 (1981) 233–243; doi:

data_9017359
_publ_section_title
;
 Crystal structure refinements of magnesite, calcite, rhodochrosite, siderite,
 smithsonite, and dolomite, with discussion of some aspects of the
 stereochemistry of calcite type carbonates
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              233
_journal_page_last               243
_journal_volume                  156
_journal_year                    1981
_chemical_compound_source        Iceland
_chemical_formula_sum            'C Ca0.99 Mg0.01 O3'
_chemical_name_mineral           Calcite
_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 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.9896
_cell_length_b                   4.9896
_cell_length_c                   17.0610
_cell_formula_units_Z            6
_cell_volume                     367.846
_database_code_amcsd             0020835
_exptl_crystal_density_diffrn    2.707
_cod_data_source_file            inputs/fixed/downloads/12/12910.cif
_cod_data_source_block           12910
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        '(Ca.99 Mg.01) C O3'
_cod_database_code               9017359
Crystal structure refinements of magnesite, calcite, rhodochrosite, siderite, smithsonite, and dolomite, with discussion of some aspects of the stereochemistry of calcite type carbonates
Effenberger, H.; Mereiter, K.; Zemann, J.; Zeitschrift fur Kristallographie 156 (1981) 233–243; doi:

data_9017360
_publ_section_title
;
 Crystal structure refinements of magnesite, calcite, rhodochrosite, siderite,
 smithsonite, and dolomite, with discussion of some aspects of the
 stereochemistry of calcite type carbonates
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              233
_journal_page_last               243
_journal_volume                  156
_journal_year                    1981
_chemical_compound_source        'Oberdorf, Styria, Austria'
_chemical_formula_sum            'C Fe0.01 Mg0.99 O3'
_chemical_name_mineral           Magnesite
_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 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.6328
_cell_length_b                   4.6328
_cell_length_c                   15.0129
_cell_formula_units_Z            6
_cell_volume                     279.050
_database_code_amcsd             0020836
_exptl_crystal_density_diffrn    3.022
_cod_data_source_file            inputs/fixed/downloads/12/12911.cif
_cod_data_source_block           12911
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        '(Mg.99 Fe.01) C O3'
_cod_database_code               9017360
Crystal structure refinements of magnesite, calcite, rhodochrosite, siderite, smithsonite, and dolomite, with discussion of some aspects of the stereochemistry of calcite type carbonates
Effenberger, H.; Mereiter, K.; Zemann, J.; Zeitschrift fur Kristallographie 156 (1981) 233–243; doi:

data_9017361
_publ_section_title
;
 Crystal structure refinements of magnesite, calcite, rhodochrosite, siderite,
 smithsonite, and dolomite, with discussion of some aspects of the
 stereochemistry of calcite type carbonates
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              233
_journal_page_last               243
_journal_volume                  156
_journal_year                    1981
_chemical_compound_source        'Ivigtut, Greenland'
_chemical_formula_sum            'C Fe0.95 Mn0.05 O3'
_chemical_name_mineral           Siderite
_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 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.6916
_cell_length_b                   4.6916
_cell_length_c                   15.3796
_cell_formula_units_Z            6
_cell_volume                     293.169
_database_code_amcsd             0020837
_exptl_crystal_density_diffrn    3.936
_cod_data_source_file            inputs/fixed/downloads/12/12912.cif
_cod_data_source_block           12912
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        '(Fe.95 Mn.05) C O3'
_cod_database_code               9017361
X-ray and neutron diffraction study of alums II. The crystal structure of methylammonium aluminium alum III. The crystal structure of ammonium aluminium alum Sample: X-ray data
Abdeen, A. M.; Will, G.; Schaefer, W.; Kirfel, A.; Bargouth, M. O.; Recker, K.; Weiss, A.; Zeitschrift fur Kristallographie 157 (1981) 147–166; doi:

data_9017362
_publ_section_title
;
 X-ray and neutron diffraction study of alums
 II. The crystal structure of methylammonium aluminium alum
 III. The crystal structure of ammonium aluminium alum
 Sample: X-ray data
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              147
_journal_page_last               166
_journal_volume                  157
_journal_year                    1981
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al H24 N O12 Os8 S2'
_chemical_name_mineral           Tschermigite
_space_group_IT_number           205
_space_group_name_Hall           '-P 2ac 2ab 3'
_space_group_name_H-M_alt        'P a -3'
_symmetry_space_group_name_H-M   'P a -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.242
_cell_length_b                   12.242
_cell_length_c                   12.242
_cell_volume                     1834.666
_database_code_amcsd             0010843
_exptl_crystal_density_diffrn    6.672
_cod_data_source_file            inputs/fixed/downloads/12/12919.cif
_cod_data_source_block           12919
_cod_original_cell_volume        1834.667
_cod_original_sg_symbol_H-M      'P a 3'
_cod_original_formula_sum        'N Al S2 Os8 (O12 H24)'
_cod_database_code               9017362
Studies on clathrasils. IV. Crystal structure of dodecasil 1H, a synthetic clathrate compound of silica
Gerke, H.; Gies, H.; Zeitschrift fur Kristallographie 166 (1984) 11–22; doi:

data_9017363
_publ_section_title
;
 Studies on clathrasils. IV. Crystal structure of dodecasil 1H,
 a synthetic clathrate compound of silica
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              11
_journal_page_last               22
_journal_volume                  166
_journal_year                    1984
_chemical_compound_source        Synthetic
_chemical_formula_sum            'O34 Si17'
_chemical_name_mineral           Bosoite
_space_group_IT_number           191
_space_group_name_Hall           '-P 6 2'
_space_group_name_H-M_alt        'P 6/m m m'
_symmetry_space_group_name_H-M   'P 6/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   13.783
_cell_length_b                   13.783
_cell_length_c                   11.190
_cell_formula_units_Z            2
_cell_volume                     1840.976
_database_code_amcsd             0020684
_exptl_crystal_density_diffrn    1.843
_cod_data_source_file            inputs/fixed/downloads/12/12943.cif
_cod_data_source_block           12943
_cod_original_formula_sum        'Si17 O34'
_cod_database_code               9017363