LMucko/crystallography-open-database huggingface dataset:
Refinement of the crystal structure of berzeliite Note: garnet structure
Hawthorne, F. C.; Acta Crystallographica, Section B 32 (1976) 1581–1583; doi:10.1107/S0567740876005888

data_9007614
_publ_section_title
;
 Refinement of the crystal structure of berzeliite
 Note: garnet structure
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              1581
_journal_page_last               1583
_journal_paper_doi               10.1107/S0567740876005888
_journal_volume                  32
_journal_year                    1976
_chemical_compound_source        'Langban, Sweden'
_chemical_formula_sum            'As3 Ca2 Mg1.7 Mn0.3 Na O12'
_chemical_name_mineral           Berzeliite
_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                   12.355
_cell_length_b                   12.355
_cell_length_c                   12.355
_cell_formula_units_Z            8
_cell_volume                     1885.942
_database_code_amcsd             0009564
_exptl_crystal_density_diffrn    4.069
_cod_original_cell_volume        1885.941
_cod_original_sg_symbol_H-M      'I a 3 d'
_cod_original_formula_sum        '(Na Ca2) (Mg1.7 Mn.3) As3 O12'
_cod_database_code               9007614
The crystal structure of gladite, PbCuBi5S9, a superstructure intermediate in the series Bi2S3-PbCuBiS3 (bismuthinite-aikinite)
Kohatsu, I.; Wuensch, B. J.; Acta Crystallographica, Section B 32 (1976) 2401–2409; doi:10.1107/S0567740876007851

data_9007615
_publ_section_title
;The crystal structure of gladite, PbCuBi5S9, a superstructure intermediate in
 the series Bi2S3-PbCuBiS3 (bismuthinite-aikinite)
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2401
_journal_page_last               2409
_journal_paper_doi               10.1107/S0567740876007851
_journal_volume                  32
_journal_year                    1976
_chemical_formula_sum            'Bi5 Cu Pb S9'
_chemical_name_mineral           Gladite
_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                   33.531
_cell_length_b                   11.486
_cell_length_c                   4.003
_cell_formula_units_Z            4
_cell_volume                     1541.704
_database_code_amcsd             0009571
_exptl_crystal_density_diffrn    6.912
_cod_original_cell_volume        1541.703
_cod_original_formula_sum        'Pb Cu Bi5 S9'
_cod_database_code               9007615
Crystal structure of ferrisicklerite, Li<1(Fe3+,Mn2+)PO4
Alberti, A.; Acta Crystallographica, Section B 32 (1976) 2761–2764; doi:10.1107/S0567740876008832

data_9007616
_publ_section_title
;
 Crystal structure of ferrisicklerite, Li<1(Fe3+,Mn2+)PO4
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2761
_journal_page_last               2764
_journal_paper_doi               10.1107/S0567740876008832
_journal_volume                  32
_journal_year                    1976
_chemical_compound_source        'Sidi-Bou-Othmane, Jebilet, Morocco'
_chemical_formula_sum
'Ca0.017 Fe0.614 Li0.301 Mg0.036 Mn0.333 Na0.014 O4 P0.965'
_chemical_name_mineral           Ferrisicklerite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2bc 2a'
_symmetry_space_group_name_H-M   'P m n b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.918
_cell_length_b                   10.037
_cell_length_c                   4.798
_cell_formula_units_Z            4
_cell_volume                     284.996
_database_code_amcsd             0009574
_exptl_crystal_density_diffrn    3.506
_cod_original_formula_sum
'Li.301 Na.014 Fe.614 Mn.333 Mg.036 Ca.017 P.965 O4'
_cod_database_code               9007616
Raspite from Broken Hill
Fujita, T.; Kawada, I.; Kato, K.; Acta Crystallographica, Section B 33 (1977) 162–164; doi:10.1107/S056774087700291X

data_9007617
_publ_section_title
;
 Raspite from Broken Hill
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              162
_journal_page_last               164
_journal_paper_doi               10.1107/S056774087700291X
_journal_volume                  33
_journal_year                    1977
_chemical_compound_source        'Broken Hill NSW, Australia'
_chemical_formula_sum            'O4 Pb W'
_chemical_name_mineral           Raspite
_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                 107.63
_cell_angle_gamma                90
_cell_length_a                   13.555
_cell_length_b                   4.976
_cell_length_c                   5.561
_cell_formula_units_Z            4
_cell_volume                     357.471
_database_code_amcsd             0009580
_exptl_crystal_density_diffrn    8.455
_cod_original_formula_sum        'Pb W O4'
_cod_database_code               9007617
Variscite
Kniep, R.; Mootz, D.; Vegas, A.; Acta Crystallographica, Section B 33 (1977) 263–265; doi:10.1107/S056774087700329X

data_9007618
_publ_section_title
;
 Variscite
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              263
_journal_page_last               265
_journal_paper_doi               10.1107/S056774087700329X
_journal_volume                  33
_journal_year                    1977
_chemical_compound_source        'Montgomery County, Arkansas, USA'
_chemical_formula_sum            'Al H4 O6 P'
_chemical_name_mineral           Variscite
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   9.822
_cell_length_b                   8.561
_cell_length_c                   9.630
_cell_volume                     809.750
_database_code_amcsd             0009582
_exptl_crystal_density_diffrn    2.592
_cod_original_formula_sum        'Al P O6 H4'
_cod_database_code               9007618
Hydrogen bonding in the crystalline state. CaHPO4 (monetite), P-1 or P1? A novel neutron diffraction study
Catti, M.; Ferraris, G.; Filhol, A.; Acta Crystallographica, Section B 33 (1977) 1223–1229; doi:10.1107/S0567740877005706

data_9007619
_publ_section_title
;
 Hydrogen bonding in the crystalline state. CaHPO4 (monetite),
 P-1 or P1? A novel neutron diffraction study
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              1223
_journal_page_last               1229
_journal_paper_doi               10.1107/S0567740877005706
_journal_volume                  33
_journal_year                    1977
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ca4 H4 O16 P4'
_chemical_name_mineral           Monetite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                96.34
_cell_angle_beta                 103.82
_cell_angle_gamma                88.33
_cell_length_a                   6.910
_cell_length_b                   6.627
_cell_length_c                   6.998
_cell_formula_units_Z            1
_cell_volume                     309.275
_database_code_amcsd             0009584
_exptl_crystal_density_diffrn    2.922
_cod_original_formula_sum        'Ca4 P4 O16 H4'
_cod_database_code               9007619
The hydrogen bonding of hydromagnesite
Akao, M.; Iwai, S.; Acta Crystallographica, Section B 33 (1977) 1273–1275; doi:10.1107/S0567740877005834

data_9007620
_publ_section_title
;
 The hydrogen bonding of hydromagnesite
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              1273
_journal_page_last               1275
_journal_paper_doi               10.1107/S0567740877005834
_journal_volume                  33
_journal_year                    1977
_chemical_formula_sum            'C4 H10 Mg5 O18'
_chemical_name_mineral           Hydromagnesite
_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                 114.44
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.105
_cell_length_b                   8.954
_cell_length_c                   8.378
_cell_volume                     690.118
_database_code_amcsd             0009586
_exptl_crystal_density_diffrn    2.250
_cod_original_formula_sum        'Mg5 C4 O18 H10'
_cod_database_code               9007620
The crystal structure of stenhuggarite
Coda, A.; Dal Negro, A.; Sabelli, C.; Tazzoli, V.; Acta Crystallographica, Section B 33 (1977) 1807–1811; doi:10.1107/S0567740877007109

data_9007621
_publ_section_title
;
 The crystal structure of stenhuggarite
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              1807
_journal_page_last               1811
_journal_paper_doi               10.1107/S0567740877007109
_journal_volume                  33
_journal_year                    1977
_chemical_formula_sum            'As2 Ca Fe O7 Sb'
_chemical_name_mineral           Stenhuggarite
_space_group_IT_number           88
_symmetry_space_group_name_Hall  '-I 4ad'
_symmetry_space_group_name_H-M   'I 41/a :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   16.144
_cell_length_b                   16.144
_cell_length_c                   10.706
_cell_formula_units_Z            16
_cell_volume                     2790.291
_database_code_amcsd             0009591
_exptl_crystal_density_diffrn    4.566
_cod_original_sg_symbol_H-M      'I 41/a'
_cod_original_formula_sum        'Ca Fe Sb As2 O7'
_cod_database_code               9007621
Refinement of the crystal structure of brewsterite, Ba0.5Sr1.5Al4Si12O32*10H2O
Schlenker, J. L.; Pluth, J. J.; Smith, J. V.; Acta Crystallographica, Section B 33 (1977) 2907–2910; doi:10.1107/S0567740877009765

data_9007622
_publ_section_title
;Refinement of the crystal structure of brewsterite,
 Ba0.5Sr1.5Al4Si12O32*10H2O
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2907
_journal_page_last               2910
_journal_paper_doi               10.1107/S0567740877009765
_journal_volume                  33
_journal_year                    1977
_chemical_formula_sum            'Al2 Ba0.24 H10 K0.01 O21 Si6 Sr0.71'
_chemical_name_mineral           Brewsterite-Sr
_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                 94.54
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.793
_cell_length_b                   17.573
_cell_length_c                   7.759
_cell_volume                     923.312
_database_code_amcsd             0009605
_exptl_crystal_density_diffrn    2.389
_cod_original_formula_sum        'Sr.71 Ba.24 K.01 Al2 Si6 O21 H10'
_cod_database_code               9007622
The hydrogen bonding of artinite Note: anisotropic displacement parameters obtained from ICSD
Akao, M.; Iwai, S.; Acta Crystallographica, Section B 33 (1977) 3951–3953; doi:10.1107/S0567740877012576

data_9007623
_publ_section_title
;
 The hydrogen bonding of artinite
 Note: anisotropic displacement parameters obtained from ICSD
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              3951
_journal_page_last               3953
_journal_paper_doi               10.1107/S0567740877012576
_journal_volume                  33
_journal_year                    1977
_chemical_formula_sum            'C0.5 H4 Mg O4'
_chemical_name_mineral           Artinite
_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                 99.10
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.560
_cell_length_b                   3.153
_cell_length_c                   6.231
_cell_volume                     321.249
_database_code_amcsd             0009620
_exptl_crystal_density_diffrn    2.033
_cod_original_formula_sum        'Mg C.5 O4 H4'
_cod_database_code               9007623
The crystal structure of the ThSiO4 polymorphs: huttonite and thorite
Taylor, M.; Ewing, R. C.; Acta Crystallographica, Section B 34 (1978) 1074–1079; doi:10.1107/S0567740878004951

data_9007624
_publ_section_title
;
 The crystal structure of the ThSiO4 polymorphs: huttonite and thorite
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              1074
_journal_page_last               1079
_journal_paper_doi               10.1107/S0567740878004951
_journal_volume                  34
_journal_year                    1978
_chemical_compound_source        Synthetic
_chemical_formula_sum            'O4 Si Th'
_chemical_name_mineral           Thorite
_space_group_IT_number           141
_symmetry_space_group_name_Hall  '-I 4bd 2'
_symmetry_space_group_name_H-M   'I 41/a m d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.1328
_cell_length_b                   7.1328
_cell_length_c                   6.3188
_cell_formula_units_Z            4
_cell_volume                     321.481
_database_code_amcsd             0009633
_exptl_crystal_density_diffrn    6.697
_cod_original_sg_symbol_H-M      'I 41/a m d'
_cod_original_formula_sum        'Th Si O4'
_cod_database_code               9007624
The crystal structure of the ThSiO4 polymorphs: huttonite and thorite
Taylor, M.; Ewing, R. C.; Acta Crystallographica, Section B 34 (1978) 1074–1079; doi:10.1107/S0567740878004951

data_9007625
_publ_section_title
;
 The crystal structure of the ThSiO4 polymorphs: huttonite and thorite
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              1074
_journal_page_last               1079
_journal_paper_doi               10.1107/S0567740878004951
_journal_volume                  34
_journal_year                    1978
_chemical_compound_source        Synthetic
_chemical_formula_sum            'O4 Si Th'
_chemical_name_mineral           Huttonite
_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                 104.92
_cell_angle_gamma                90
_cell_length_a                   6.784
_cell_length_b                   6.974
_cell_length_c                   6.500
_cell_formula_units_Z            4
_cell_volume                     297.158
_database_code_amcsd             0009634
_exptl_crystal_density_diffrn    7.245
_cod_original_formula_sum        'Th Si O4'
_cod_database_code               9007625
The crystal structure of aluminite Note: anisotropic displacement factors from ICSD
Sabelli, C.; Ferroni, R. T.; Acta Crystallographica, Section B 34 (1978) 2407–2412; doi:10.1107/S0567740878008341

data_9007626
_publ_section_title
;
 The crystal structure of aluminite
 Note: anisotropic displacement factors from ICSD
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2407
_journal_page_last               2412
_journal_paper_doi               10.1107/S0567740878008341
_journal_volume                  34
_journal_year                    1978
_chemical_formula_sum            'Al2 H18 O15 S'
_chemical_name_mineral           Aluminite
_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                 110.18
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.440
_cell_length_b                   15.583
_cell_length_c                   11.700
_cell_volume                     1273.200
_database_code_amcsd             0009644
_exptl_crystal_density_diffrn    1.795
_cod_depositor_comments
;
    Z value inserted to be consistent with given formula
    Renamed water oxygens so that they are recognized as oxygens.
                               miguel
;
_cod_original_formula_sum        'S Al2 O15 H18'
_cod_database_code               9007626
New investigation of willemite Note: Anisotropic displacement parameters are from ICSD
Klaska, K.-H.; Eck, J. C.; Pohl, D.; Acta Crystallographica, Section B 34 (1978) 3324–3325; doi:10.1107/S0567740878010778

data_9007627
_publ_section_title
;
 New investigation of willemite
 Note: Anisotropic displacement parameters are from ICSD
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              3324
_journal_page_last               3325
_journal_paper_doi               10.1107/S0567740878010778
_journal_volume                  34
_journal_year                    1978
_chemical_compound_source        Synthetic
_chemical_formula_sum            'O4 Si Zn2'
_chemical_name_mineral           Willemite
_space_group_IT_number           148
_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                   13.948
_cell_length_b                   13.948
_cell_length_c                   9.315
_cell_formula_units_Z            18
_cell_volume                     1569.413
_database_code_amcsd             0009645
_exptl_crystal_density_diffrn    4.244
_cod_original_sg_symbol_H-M      'R -3'
_cod_original_formula_sum        'Zn2 Si O4'
_cod_database_code               9007627
Structural chemistry of copper and zinc minerals. VI. Bayldonite, (Cu,Zn)3Pb(AsO4)2(OH)2: A complex layer structure
Ghose, S.; Wan, C.; Acta Crystallographica, Section B 35 (1979) 819–823; doi:10.1107/S0567740879004970

data_9007628
_publ_section_title
;
 Structural chemistry of copper and zinc minerals. VI. Bayldonite,
 (Cu,Zn)3Pb(AsO4)2(OH)2: A complex layer structure
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              819
_journal_page_last               823
_journal_paper_doi               10.1107/S0567740879004970
_journal_volume                  35
_journal_year                    1979
_chemical_compound_source        'Tsumeb, S.W. Africa'
_chemical_formula_sum            'As2 Cu3 H2 O10 Pb'
_chemical_name_mineral           Bayldonite
_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                 106.05
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.147
_cell_length_b                   5.892
_cell_length_c                   14.081
_cell_volume                     809.034
_database_code_amcsd             0009665
_exptl_crystal_density_diffrn    5.827
_cod_original_formula_sum        'Cu3 Pb As2 O10 H2'
_cod_database_code               9007628
Structure of a manganese(II) arsenatotrisilicate, Mn4[AsSi3O12(OH)]: The presence of a new tetrapolyphosphate-like anion Note: Displacement parameters taken from ICSD
Gramaccioli, C. M.; Pilati, T.; Liborio, G.; Acta Crystallographica, Section B 35 (1979) 2287–2291; doi:10.1107/S0567740879009158

data_9007629
_publ_section_title
;
 Structure of a manganese(II) arsenatotrisilicate, Mn4[AsSi3O12(OH)]:
 The presence of a new tetrapolyphosphate-like anion
 Note: Displacement parameters taken from ICSD
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2287
_journal_page_last               2291
_journal_paper_doi               10.1107/S0567740879009158
_journal_volume                  35
_journal_year                    1979
_chemical_compound_source        'Molinello, near Chiavari, Liguria,'
_chemical_formula_sum            'As H Mn4 O13 Si3'
_chemical_name_mineral           Tiragalloite
_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                 95.7
_cell_angle_gamma                90
_cell_length_a                   6.66
_cell_length_b                   19.92
_cell_length_c                   7.67
_cell_formula_units_Z            4
_cell_volume                     1012.526
_database_code_amcsd             0009690
_exptl_crystal_density_diffrn    3.857
_cod_original_formula_sum        'Mn4 As Si3 O13 H'
_cod_database_code               9007629
Structure of barium chlorapatite
Hata, M.; Marumo, F.; Iwai, S.; Aoki, H.; Acta Crystallographica, Section B 35 (1979) 2382–2384; doi:10.1107/S0567740879009377

data_9007630
_publ_section_title
;
 Structure of barium chlorapatite
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2382
_journal_page_last               2384
_journal_paper_doi               10.1107/S0567740879009377
_journal_volume                  35
_journal_year                    1979
_chemical_formula_sum            'Ba5 Cl O12 P3'
_chemical_name_mineral           Alforsite
_space_group_IT_number           176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   10.284
_cell_length_b                   10.284
_cell_length_c                   7.651
_cell_formula_units_Z            2
_cell_volume                     700.766
_database_code_amcsd             0009691
_exptl_crystal_density_diffrn    4.772
_cod_original_formula_sum        'Ba5 P3 O12 Cl'
_cod_database_code               9007630
Structure cristalline de l'aubertite, AlCuCl(SO4)2*14H2O Note: anisotropic displacement parameters obtained from ICSD
Ginderow, D.; Cesbron, F.; Acta Crystallographica, Section B 35 (1979) 2499–2502; doi:10.1107/S0567740879009766

data_9007631
_publ_section_title
;
 Structure cristalline de l'aubertite, AlCuCl(SO4)2*14H2O
 Note: anisotropic displacement parameters obtained from ICSD
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2499
_journal_page_last               2502
_journal_paper_doi               10.1107/S0567740879009766
_journal_volume                  35
_journal_year                    1979
_chemical_formula_sum            'Al Cl Cu H28 O22 S2'
_chemical_name_mineral           Aubertite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                91.85
_cell_angle_beta                 94.70
_cell_angle_gamma                82.46
_cell_formula_units_Z            1
_cell_length_a                   6.282
_cell_length_b                   13.192
_cell_length_c                   6.260
_cell_volume                     512.443
_database_code_amcsd             0009692
_exptl_crystal_density_diffrn    1.848
_cod_original_formula_sum        'Cu Al S2 O22 Cl H28'
_cod_database_code               9007631