LMucko/crystallography-open-database huggingface dataset:
The crystal structure of mercury(I) orthoarsenate
Kamenar, B.; Kaitner, B.; Acta Crystallographica, Section B 29 (1973) 1666–1669; doi:10.1107/S0567740873005224

data_9011143
_publ_section_title
;
 The crystal structure of mercury(I) orthoarsenate
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              1666
_journal_page_last               1669
_journal_paper_doi               10.1107/S0567740873005224
_journal_volume                  29
_journal_year                    1973
_chemical_compound_source        Synthetic
_chemical_formula_sum            'As Hg3 O4'
_chemical_name_mineral           Chursinite
_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                 128.4
_cell_angle_gamma                90
_cell_length_a                   8.73
_cell_length_b                   5.08
_cell_length_c                   15.64
_cell_formula_units_Z            4
_cell_volume                     543.577
_database_code_amcsd             0009483
_exptl_crystal_density_diffrn    9.051
_cod_original_formula_sum        'Hg3 As O4'
_cod_database_code               9011143
Ca4(PO4)2O, tetracalcium diphosphate monooxide. Crystal structure and relationships to Ca5(PO4)3OH and K3Na(SO4)2 Note: z(O11) corrected to match reported bond lengths
Dickens, B.; Brown, W. E.; Kruger, G. J.; Stewart, J. M.; Acta Crystallographica, Section B 29 (1973) 2046–2056; doi:10.1107/S0567740873006102

data_9011144
_publ_section_title
;
 Ca4(PO4)2O, tetracalcium diphosphate monooxide.
 Crystal structure and relationships to Ca5(PO4)3OH and K3Na(SO4)2
 Note: z(O11) corrected to match reported bond lengths
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2046
_journal_page_last               2056
_journal_paper_doi               10.1107/S0567740873006102
_journal_volume                  29
_journal_year                    1973
_chemical_formula_structural     Ca4(PO4)2O
_chemical_formula_sum            'Ca4 O9 P2'
_space_group_IT_number           4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.90
_cell_angle_gamma                90
_cell_length_a                   7.023
_cell_length_b                   11.986
_cell_length_c                   9.473
_cell_formula_units_Z            4
_cell_volume                     797.317
_database_code_amcsd             0009486
_exptl_crystal_density_diffrn    3.051
_cod_original_formula_sum        'Ca4 P2 O9'
_cod_database_code               9011144
_amcsd_formula_title             Ca4(PO4)2O
The crystal structure of synthetic mooihoekite, Cu9Fe9S16
Hall, S. R.; Rowland, J. F.; Acta Crystallographica, Section B 29 (1973) 2365–2372; doi:10.1107/S0567740873006710

data_9011145
_publ_section_title
;
 The crystal structure of synthetic mooihoekite, Cu9Fe9S16
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2365
_journal_page_last               2372
_journal_paper_doi               10.1107/S0567740873006710
_journal_volume                  29
_journal_year                    1973
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cu9 Fe9 S16'
_chemical_name_mineral           Mooihoekite
_space_group_IT_number           111
_symmetry_space_group_name_Hall  'P -4 2'
_symmetry_space_group_name_H-M   'P -4 2 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.585
_cell_length_b                   10.585
_cell_length_c                   5.383
_cell_formula_units_Z            1
_cell_volume                     603.123
_database_code_amcsd             0009489
_exptl_crystal_density_diffrn    4.371
_cod_database_code               9011145
Refinement of the crystal structure of NaScSi2O6
Hawthorne, F. C.; Grundy, H. D.; Acta Crystallographica, Section B 29 (1973) 2615–2616; doi:10.1107/S0567740873007156

data_9011146
_publ_section_title
;
 Refinement of the crystal structure of NaScSi2O6
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2615
_journal_page_last               2616
_journal_paper_doi               10.1107/S0567740873007156
_journal_volume                  29
_journal_year                    1973
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Na O6 Sc Si2'
_chemical_name_mineral           Jervisite
_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                 107.215
_cell_angle_gamma                90
_cell_length_a                   9.8438
_cell_length_b                   9.0439
_cell_length_c                   5.3540
_cell_formula_units_Z            4
_cell_volume                     455.294
_database_code_amcsd             0009492
_exptl_crystal_density_diffrn    3.211
_cod_original_formula_sum        'Na Sc Si2 O6'
_cod_database_code               9011146
Hydrogen bonding in the crystalline state. Crystal structure and twinning of NaNH4HPO4*4H2O (Stercorite)
Ferraris, G.; Franchini-Angela M; Acta Crystallographica, Section B 30 (1974) 504–510; doi:10.1107/S0567740874003062

data_9011147
_publ_section_title
;
 Hydrogen bonding in the crystalline state. Crystal structure and twinning of
 NaNH4HPO4*4H2O (Stercorite)
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              504
_journal_page_last               510
_journal_paper_doi               10.1107/S0567740874003062
_journal_volume                  30
_journal_year                    1974
_chemical_compound_source        'guano deposits'
_chemical_formula_sum            'H9 N Na O8 P'
_chemical_name_mineral           Stercorite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                90.46
_cell_angle_beta                 97.87
_cell_angle_gamma                109.20
_cell_formula_units_Z            2
_cell_length_a                   10.636
_cell_length_b                   6.9187
_cell_length_c                   6.4359
_cell_volume                     442.331
_database_code_amcsd             0009501
_exptl_crystal_density_diffrn    1.539
_cod_original_formula_sum        'N Na P O8 H9'
_cod_database_code               9011147
The crystal structure of sodium chloride dihydrate
Klewe, B.; Pedersen, B.; Acta Crystallographica, Section B 30 (1974) 2363–2371; doi:10.1107/S0567740874007138

data_9011148
_publ_section_title
;
 The crystal structure of sodium chloride dihydrate
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2363
_journal_page_last               2371
_journal_paper_doi               10.1107/S0567740874007138
_journal_volume                  30
_journal_year                    1974
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cl H4 Na O2'
_chemical_name_mineral           Hydrohalite
_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                 114.407
_cell_angle_gamma                90
_cell_length_a                   6.3313
_cell_length_b                   10.1178
_cell_length_c                   6.5029
_cell_formula_units_Z            4
_cell_volume                     379.341
_database_code_amcsd             0009517
_exptl_crystal_density_diffrn    1.654
_cod_original_formula_sum        'Na Cl O2 H4'
_cod_database_code               9011148
Zeolites of the phillipsite family. Refinement of the crystal structure of phillipsite and harmotome
Rinaldi, R.; Pluth, J. J.; Smith, J. V.; Acta Crystallographica, Section B 30 (1974) 2426–2433; doi:10.1107/S0567740874007242

data_9011149
_publ_section_title
;
 Zeolites of the phillipsite family. Refinement of the crystal structure of
 phillipsite and harmotome
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2426
_journal_page_last               2433
_journal_paper_doi               10.1107/S0567740874007242
_journal_volume                  30
_journal_year                    1974
_chemical_formula_sum            'Al2.672 Ca0.82 H12 K O22 Si5.328'
_chemical_name_mineral           Phillipsite-Ca
_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                 124.20
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.865
_cell_length_b                   14.300
_cell_length_c                   8.668
_cell_volume                     1011.346
_database_code_amcsd             0009518
_exptl_crystal_density_diffrn    2.160
_cod_original_formula_sum        'K Ca.82 (Al2.672 Si5.328) O22 H12'
_cod_database_code               9011149
Zeolites of the phillipsite family. Refinement of the crystal structure of phillipsite and harmotome
Rinaldi, R.; Pluth, J. J.; Smith, J. V.; Acta Crystallographica, Section B 30 (1974) 2426–2433; doi:10.1107/S0567740874007242

data_9011150
_publ_section_title
;
 Zeolites of the phillipsite family. Refinement of the crystal structure of
 phillipsite and harmotome
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2426
_journal_page_last               2433
_journal_paper_doi               10.1107/S0567740874007242
_journal_volume                  30
_journal_year                    1974
_chemical_formula_sum            'Al2.48 Ba Ca0.3 H12 O22 Si5.52'
_chemical_name_mineral           Harmotome
_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                 124.81
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.879
_cell_length_b                   14.139
_cell_length_c                   8.693
_cell_volume                     996.944
_database_code_amcsd             0009519
_exptl_crystal_density_diffrn    2.450
_cod_original_formula_sum        'Ba Ca.3 (Al2.48 Si5.52) O22 H12'
_cod_database_code               9011150
The crystal structure of paratacamite, Cu2(OH)3Cl Sample: Ordered structure, considered to be the true structure
Fleet, M. E.; Acta Crystallographica, Section B 31 (1975) 183–187; doi:10.1107/S0567740875002324

data_9011151
_publ_section_title
;
 The crystal structure of paratacamite, Cu2(OH)3Cl
 Sample: Ordered structure, considered to be the true structure
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              183
_journal_page_last               187
_journal_paper_doi               10.1107/S0567740875002324
_journal_volume                  31
_journal_year                    1975
_chemical_formula_sum            'Cl Cu2 H3 O3'
_chemical_name_mineral           Paratacamite
_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_formula_units_Z            24
_cell_length_a                   13.654
_cell_length_b                   13.654
_cell_length_c                   14.041
_cell_volume                     2266.984
_database_code_amcsd             0009525
_exptl_crystal_density_diffrn    3.754
_cod_duplicate_entry             9007602
_cod_original_sg_symbol_H-M      'R -3'
_cod_original_formula_sum        'Cu2 (O3 Cl) H3'
_cod_database_code               9011151
The structure of potassium hydrogensulfate Note: y(O23), z(H1), x(H2) corrected
Cotton, F. A.; Frenz, B. A.; Hunter, D. L.; Acta Crystallographica, Section B 31 (1975) 302–304; doi:10.1107/S0567740875002580

data_9011152
_publ_section_title
;
 The structure of potassium hydrogensulfate
 Note: y(O23), z(H1), x(H2) corrected
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              302
_journal_page_last               304
_journal_paper_doi               10.1107/S0567740875002580
_journal_volume                  31
_journal_year                    1975
_chemical_compound_source        Synthetic
_chemical_formula_sum            'H K O4 S'
_chemical_name_mineral           Mercallite
_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            16
_cell_length_a                   8.412
_cell_length_b                   9.800
_cell_length_c                   18.9570
_cell_volume                     1562.770
_database_code_amcsd             0009528
_exptl_crystal_density_diffrn    2.315
_cod_depositor_comments
;
       Insterting Z value to be consistent with given formula
                                  miguel
;
_cod_original_formula_sum        'K S O4 H'
_cod_database_code               9011152
A neutron diffraction study of Na2CO3*H2O
Wu, K. K.; Brown, I. D.; Acta Crystallographica, Section B 31 (1975) 890–892; doi:10.1107/S0567740875004001

data_9011153
_publ_section_title
;
 A neutron diffraction study of Na2CO3*H2O
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              890
_journal_page_last               892
_journal_paper_doi               10.1107/S0567740875004001
_journal_volume                  31
_journal_year                    1975
_chemical_compound_source        Synthetic
_chemical_formula_sum            'C H2 Na2 O4'
_chemical_name_mineral           Thermonatrite
_space_group_IT_number           29
_symmetry_space_group_name_Hall  'P -2b 2a'
_symmetry_space_group_name_H-M   'P 21 a b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.472
_cell_length_b                   10.724
_cell_length_c                   5.259
_cell_formula_units_Z            4
_cell_volume                     365.005
_database_code_amcsd             0009532
_exptl_crystal_density_diffrn    2.257
_cod_original_formula_sum        'Na2 C O4 H2'
_cod_database_code               9011153
The crystal structure of hopeite, Zn3(PO4)2*4H2O
Whitaker, A.; Acta Crystallographica, Section B 31 (1975) 2026–2035; doi:10.1107/S0567740875006784

data_9011154
_publ_section_title
;
 The crystal structure of hopeite, Zn3(PO4)2*4H2O
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2026
_journal_page_last               2035
_journal_paper_doi               10.1107/S0567740875006784
_journal_volume                  31
_journal_year                    1975
_chemical_compound_source        Synthetic
_chemical_formula_sum            'H8 O12 P2 Zn3'
_chemical_name_mineral           Hopeite
_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                   10.629
_cell_length_b                   18.339
_cell_length_c                   5.040
_cell_volume                     982.423
_database_code_amcsd             0009537
_exptl_crystal_density_diffrn    3.098
_cod_original_formula_sum        'Zn3 P2 O12 H8'
_cod_database_code               9011154
Structure cristalline de Sb2O3*2SO3
Mercier, R.; Douglade, J.; Theobald, F. R.; Acta Crystallographica, Section B 31 (1975) 2081–2085; doi:10.1107/S0567740875006899

data_9011155
_publ_section_title
;
 Structure cristalline de Sb2O3*2SO3
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2081
_journal_page_last               2085
_journal_paper_doi               10.1107/S0567740875006899
_journal_volume                  31
_journal_year                    1975
_chemical_formula_structural     Sb2O3*2SO3
_chemical_formula_sum            'O9 S2 Sb2'
_space_group_IT_number           92
_symmetry_space_group_name_Hall  'P 4abw 2nw'
_symmetry_space_group_name_H-M   'P 41 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.59
_cell_length_b                   6.59
_cell_length_c                   17.04
_cell_formula_units_Z            4
_cell_volume                     740.015
_database_code_amcsd             0009538
_exptl_crystal_density_diffrn    4.054
_cod_original_formula_sum        'Sb2 S2 O9'
_cod_database_code               9011155
_amcsd_formula_title             Sb2O3*2SO3
Haycockite, Cu4Fe5S8: a superstructure in the chalcopyrite series
Rowland, J. F.; Hall, S. R.; Acta Crystallographica, Section B 31 (1975) 2105–2112; doi:10.1107/S0567740875006929

data_9011156
_publ_section_title
;
 Haycockite, Cu4Fe5S8: a superstructure in the chalcopyrite series
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2105
_journal_page_last               2112
_journal_paper_doi               10.1107/S0567740875006929
_journal_volume                  31
_journal_year                    1975
_chemical_compound_source        'Lydenburg District, Transvaal, South Africa'
_chemical_formula_sum            'Cu4 Fe5 S8'
_chemical_name_mineral           Haycockite
_space_group_IT_number           16
_symmetry_space_group_name_Hall  'P 2 2'
_symmetry_space_group_name_H-M   'P 2 2 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.705
_cell_length_b                   10.734
_cell_length_c                   31.630
_cell_formula_units_Z            12
_cell_volume                     3634.523
_database_code_amcsd             0009539
_exptl_crystal_density_diffrn    4.331
_cod_database_code               9011156
Superstructure investigation of bornite, Cu5FeS4, by the modified partial Patterson function
Koto, K.; Morimoto, N.; Acta Crystallographica, Section B 31 (1975) 2268–2273; doi:10.1107/S0567740875007376

data_9011157
_publ_section_title
;
 Superstructure investigation of bornite, Cu5FeS4, by the modified partial
 Patterson function
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2268
_journal_page_last               2273
_journal_paper_doi               10.1107/S0567740875007376
_journal_volume                  31
_journal_year                    1975
_chemical_compound_source        'Cornwall, England'
_chemical_formula_sum            'Cu2.5 Fe0.5 S2'
_chemical_name_mineral           Bornite
_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_length_a                   10.950
_cell_length_b                   21.862
_cell_length_c                   10.950
_cell_formula_units_Z            32
_cell_volume                     2621.308
_database_code_amcsd             0009542
_exptl_crystal_density_diffrn    5.086
_cod_original_formula_sum        'S2 (Cu2.5 Fe.5)'
_cod_database_code               9011157
The crystal structure of nasinite, Na2[B5O8(OH)]*2H2O
Corazza, E.; Menchetti, S.; Sabelli, C.; Acta Crystallographica, Section B 31 (1975) 2405–2410; doi:10.1107/S0567740875007704

data_9011158
_publ_section_title
;
 The crystal structure of nasinite, Na2[B5O8(OH)]*2H2O
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2405
_journal_page_last               2410
_journal_paper_doi               10.1107/S0567740875007704
_journal_volume                  31
_journal_year                    1975
_chemical_compound_source        Synthetic
_chemical_formula_sum            'B5 H5 Na2 O11'
_chemical_name_mineral           Nasinite
_space_group_IT_number           33
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.015
_cell_length_b                   6.518
_cell_length_c                   11.173
_cell_volume                     875.000
_database_code_amcsd             0009544
_exptl_crystal_density_diffrn    2.134
_cod_original_formula_sum        'Na2 B5 O11 H5'
_cod_database_code               9011158
A powder neutron diffraction study of lanthanum and cerium trifluorides Chem 5 (1966) 1466-1468
Cheetham, A. K.; Fender, B. E. F.; Fuess, H.; Wright, A. F.; Acta Crystallographica, Section B 32 (1976) 94–97; doi:10.1107/S0567740876002380

data_9011159
_publ_section_title
;A powder neutron diffraction study of lanthanum and cerium trifluorides
 Chem 5 (1966) 1466-1468
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              94
_journal_page_last               97
_journal_paper_doi               10.1107/S0567740876002380
_journal_volume                  32
_journal_year                    1976
_chemical_compound_source        Synthetic
_chemical_formula_sum            'F3 La'
_chemical_name_mineral           Fluocerite-(La)
_space_group_IT_number           165
_symmetry_space_group_name_Hall  '-P 3 2"c'
_symmetry_space_group_name_H-M   'P -3 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   7.185
_cell_length_b                   7.185
_cell_length_c                   7.351
_cell_formula_units_Z            6
_cell_volume                     328.648
_database_code_amcsd             0009547
_exptl_crystal_density_diffrn    5.939
_cod_original_formula_sum        'La F3'
_cod_database_code               9011159
A powder neutron diffraction study of lanthanum and cerium trifluorides
Cheetham, A. K.; Fender, B. E. F.; Fuess, H.; Wright, A. F.; Acta Crystallographica, Section B 32 (1976) 94–97; doi:10.1107/S0567740876002380

data_9011160
_publ_section_title
;
 A powder neutron diffraction study of lanthanum and cerium trifluorides
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              94
_journal_page_last               97
_journal_paper_doi               10.1107/S0567740876002380
_journal_volume                  32
_journal_year                    1976
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ce F3'
_chemical_name_mineral           Fluocerite-(Ce)
_space_group_IT_number           165
_symmetry_space_group_name_Hall  '-P 3 2"c'
_symmetry_space_group_name_H-M   'P -3 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   7.131
_cell_length_b                   7.131
_cell_length_c                   7.286
_cell_formula_units_Z            6
_cell_volume                     320.864
_database_code_amcsd             0009548
_exptl_crystal_density_diffrn    6.121
_cod_database_code               9011160