LMucko/crystallography-open-database huggingface dataset:
The crystal structure of manganese-whitlockite, Ca18Mn2H2(PO4)14
Kostiner, E.; Rea, J. R.; Acta Crystallographica, Section B 32 (1976) 250–253; doi:10.1107/S0567740876002690

data_9011161
_publ_section_title
;
 The crystal structure of manganese-whitlockite, Ca18Mn2H2(PO4)14
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              250
_journal_page_last               253
_journal_paper_doi               10.1107/S0567740876002690
_journal_volume                  32
_journal_year                    1976
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ca9 H Mn O28 P7'
_chemical_name_mineral           Whitlockite
_space_group_IT_number           161
_symmetry_space_group_name_Hall  'R 3 -2"c'
_symmetry_space_group_name_H-M   'R 3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   10.438
_cell_length_b                   10.438
_cell_length_c                   37.150
_cell_volume                     3505.291
_database_code_amcsd             0009550
_exptl_crystal_density_diffrn    3.074
_cod_original_cell_volume        3505.290
_cod_original_sg_symbol_H-M      'R 3 c'
_cod_original_formula_sum        'Mn Ca9 P7 O28 H'
_cod_database_code               9011161
Structural chemistry of borosilicates. I. Garrelsite, NaBa3Si2B7O16(OH)4, a silicoborate with the pentaborate [B5O12]9- polyanion
Ghose, S.; Wan, C.; Ulbrich, H. H.; Acta Crystallographica, Section B 32 (1976) 824–832; doi:10.1107/S0567740876004019

data_9011162
_publ_section_title
;
 Structural chemistry of borosilicates. I. Garrelsite, NaBa3Si2B7O16(OH)4, a
 silicoborate with the pentaborate [B5O12]9- polyanion
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              824
_journal_page_last               832
_journal_paper_doi               10.1107/S0567740876004019
_journal_volume                  32
_journal_year                    1976
_chemical_compound_source        'South Ouray, Utah'
_chemical_formula_sum            'B7 Ba3 H4 Na O20 Si2'
_chemical_name_mineral           Garrelsite
_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                 114.21
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.639
_cell_length_b                   8.466
_cell_length_c                   13.438
_cell_volume                     1518.946
_database_code_amcsd             0009552
_exptl_crystal_density_diffrn    3.896
_cod_original_formula_sum        'Na Ba3 Si2 B7 O20 H4'
_cod_database_code               9011162
The crystal structure of copper(II) tetraammine nitrate
Morosin, B.; Acta Crystallographica, Section B 32 (1976) 1237–1240; doi:10.1107/S0567740876005013

data_9011163
_publ_section_title
;
 The crystal structure of copper(II) tetraammine nitrate
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              1237
_journal_page_last               1240
_journal_paper_doi               10.1107/S0567740876005013
_journal_volume                  32
_journal_year                    1976
_chemical_formula_structural     Cu(NH3)4(NO3)2
_chemical_formula_sum            'Cu H12 N6 O6'
_space_group_IT_number           58
_symmetry_space_group_name_Hall  '-P 2 2n'
_symmetry_space_group_name_H-M   'P n n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.840
_cell_length_b                   23.693
_cell_length_c                   6.902
_cell_formula_units_Z            8
_cell_volume                     1772.655
_database_code_amcsd             0009553
_exptl_crystal_density_diffrn    1.916
_cod_original_formula_sum        'Cu N6 O6 H12'
_cod_database_code               9011163
_amcsd_formula_title             Cu(NH3)4(NO3)2
The crystal structure of senaite
Grey, I. E.; Lloyd, D. J.; Acta Crystallographica, Section B 32 (1976) 1509–1513; doi:10.1107/S0567740876012478

data_9011164
_publ_section_title
;
 The crystal structure of senaite
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              1509
_journal_page_last               1513
_journal_paper_doi               10.1107/S0567740876012478
_journal_volume                  32
_journal_year                    1976
_chemical_compound_source        'Diamantina region, Brazil'
_chemical_formula_sum            'Fe6.34 Mn O38 Pb0.83 Ti13.66'
_chemical_name_mineral           Senaite
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-P 3*'
_symmetry_space_group_name_H-M   'R -3 :R'
_cell_angle_alpha                69.020
_cell_angle_beta                 69.020
_cell_angle_gamma                69.020
_cell_length_a                   9.172
_cell_length_b                   9.172
_cell_length_c                   9.172
_cell_formula_units_Z            1
_cell_volume                     648.885
_database_code_amcsd             0009559
_exptl_crystal_density_diffrn    4.716
_cod_original_sg_symbol_H-M      'R -3'
_cod_original_formula_sum        'Pb.83 Ti13.66 Fe6.34 Mn O38'
_cod_database_code               9011164
The crystal structure of the antimony(III) oxide sulphate Sb6O7(SO4)2
Bovin, J. O.; Acta Crystallographica, Section B 32 (1976) 1771–1777; doi:10.1107/S0567740876006377

data_9011165
_publ_section_title
;
 The crystal structure of the antimony(III) oxide sulphate Sb6O7(SO4)2
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              1771
_journal_page_last               1777
_journal_paper_doi               10.1107/S0567740876006377
_journal_volume                  32
_journal_year                    1976
_chemical_formula_structural     Sb6O7(SO4)2
_chemical_formula_sum            'O15 S2 Sb6'
_space_group_IT_number           37
_symmetry_space_group_name_Hall  'C 2 -2c'
_symmetry_space_group_name_H-M   'C c c 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   12.073
_cell_length_b                   19.023
_cell_length_c                   5.876
_cell_formula_units_Z            4
_cell_volume                     1349.510
_database_code_amcsd             0009569
_exptl_crystal_density_diffrn    5.092
_cod_original_formula_sum        'Sb6 S2 O15'
_cod_database_code               9011165
_amcsd_formula_title             Sb6O7(SO4)2
On the hydrogen bonding in potassium hydrogen sulphate. Comparison with a previous crystal structure determination
Payan, F.; Haser, R.; Acta Crystallographica, Section B 32 (1976) 1875–1879; doi:10.1107/S0567740876006572

data_9011166
_publ_section_title
;
 On the hydrogen bonding in potassium hydrogen sulphate. Comparison with a
 previous crystal structure determination
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              1875
_journal_page_last               1879
_journal_paper_doi               10.1107/S0567740876006572
_journal_volume                  32
_journal_year                    1976
_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                   8.429
_cell_length_b                   9.807
_cell_length_c                   18.976
_cell_volume                     1568.617
_database_code_amcsd             0009570
_exptl_crystal_density_diffrn    2.306
_cod_depositor_comments
;
       Insterting Z value and modifying formual to be consistent
 with usual chemical conventions
                                  miguel
;
_cod_original_formula_sum        'K2 S2 O8 H2'
_cod_database_code               9011166
Structure cristalline de Sb2O3*3SO3
Mercier, R.; Douglade, J.; Bernard, J.; Acta Crystallographica, Section B 32 (1976) 2787–2791; doi:10.1107/S0567740876008881

data_9011167
_publ_section_title
;
 Structure cristalline de Sb2O3*3SO3
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2787
_journal_page_last               2791
_journal_paper_doi               10.1107/S0567740876008881
_journal_volume                  32
_journal_year                    1976
_chemical_formula_structural     Sb2(SO4)3
_chemical_formula_sum            'O12 S3 Sb2'
_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                 126.30
_cell_angle_gamma                90
_cell_length_a                   13.12
_cell_length_b                   4.750
_cell_length_c                   17.55
_cell_formula_units_Z            4
_cell_volume                     881.457
_database_code_amcsd             0009575
_exptl_crystal_density_diffrn    4.007
_cod_original_formula_sum        'Sb2 S3 O12'
_cod_database_code               9011167
_amcsd_formula_title             Sb2(SO4)3
Hydrogen bonding in the crystalline state. Structure of Mg3(NH4)2(HPO4)4*8H2O (hannayite), and crystal-chemical relationships with schertelite and struvite
Catti, M.; Franchini-Angela M; Acta Crystallographica, Section B 32 (1976) 2842–2848; doi:10.1107/S056774087600900X

data_9011168
_publ_section_title
;Hydrogen bonding in the crystalline state. Structure of Mg3(NH4)2(HPO4)4*8H2O
 (hannayite), and crystal-chemical relationships with schertelite and struvite
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2842
_journal_page_last               2848
_journal_paper_doi               10.1107/S056774087600900X
_journal_volume                  32
_journal_year                    1976
_chemical_compound_source        Synthetic
_chemical_formula_sum            'H28 Mg3 N2 O24 P4'
_chemical_name_mineral           Hannayite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                97.87
_cell_angle_beta                 96.97
_cell_angle_gamma                104.74
_cell_formula_units_Z            1
_cell_length_a                   10.728
_cell_length_b                   7.670
_cell_length_c                   6.702
_cell_volume                     521.225
_database_code_amcsd             0009576
_exptl_crystal_density_diffrn    2.029
_cod_original_formula_sum        'N2 H28 Mg3 P4 O24'
_cod_database_code               9011168
A neutron diffraction study of a-Sb2O4
Thornton, G.; Acta Crystallographica, Section B 33 (1977) 1271–1273; doi:10.1107/S0567740877005822

data_9011169
_publ_section_title
;
 A neutron diffraction study of a-Sb2O4
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              1271
_journal_page_last               1273
_journal_paper_doi               10.1107/S0567740877005822
_journal_volume                  33
_journal_year                    1977
_chemical_compound_source        Synthetic
_chemical_formula_sum            'O2 Sb'
_chemical_name_mineral           Cervantite
_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_length_a                   5.456
_cell_length_b                   4.814
_cell_length_c                   11.787
_cell_formula_units_Z            8
_cell_volume                     309.588
_database_code_amcsd             0009585
_exptl_crystal_density_diffrn    6.597
_cod_original_formula_sum        'Sb O2'
_cod_database_code               9011169
An accurate refinement of the beta-rhombohedral boron structure
Callmer, B.; Acta Crystallographica, Section B 33 (1977) 1951–1954; doi:10.1107/S0567740877007389

data_9011170
_publ_section_title
;
 An accurate refinement of the beta-rhombohedral boron structure
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              1951
_journal_page_last               1954
_journal_paper_doi               10.1107/S0567740877007389
_journal_volume                  33
_journal_year                    1977
_chemical_compound_source        Synthetic
_chemical_formula_sum            B
_chemical_name_common            Boron
_chemical_name_mineral           Boron
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   10.9251
_cell_length_b                   10.9251
_cell_length_c                   23.8143
_cell_formula_units_Z            36
_cell_volume                     2461.610
_database_code_amcsd             0009595
_exptl_crystal_density_diffrn    2.295
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_database_code               9011170
The symmetry and crystal structure of olivenite Sample: alpha = .23
Toman, K.; Acta Crystallographica, Section B 33 (1977) 2628–2631; doi:10.1107/S0567740877009042

data_9011171
_publ_section_title
;
 The symmetry and crystal structure of olivenite
 Sample: alpha = .23
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2628
_journal_page_last               2631
_journal_paper_doi               10.1107/S0567740877009042
_journal_volume                  33
_journal_year                    1977
_chemical_formula_sum            'As Cu2 H O5'
_chemical_name_mineral           Olivenite
_space_group_IT_number           14
_space_group_name_Hall           '-P 2xn'
_space_group_name_H-M_alt        'P 21/n 1 1'
_cell_angle_alpha                90.0
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.615
_cell_length_b                   8.240
_cell_length_c                   5.953
_cell_volume                     422.589
_exptl_crystal_density_diffrn    4.448
_cod_original_formula_sum        'As Cu2 O5 H'
_cod_database_code               9011171
_database_code_amcsd 0009598
The symmetry and crystal structure of olivenite Sample: alpha = .00
Toman, K.; Acta Crystallographica, Section B 33 (1977) 2628–2631; doi:10.1107/S0567740877009042

data_9011172
_publ_section_title
;
 The symmetry and crystal structure of olivenite
 Sample: alpha = .00
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2628
_journal_page_last               2631
_journal_paper_doi               10.1107/S0567740877009042
_journal_volume                  33
_journal_year                    1977
_chemical_formula_sum            'As Cu2 H O5'
_chemical_name_mineral           Olivenite
_space_group_IT_number           14
_space_group_name_Hall           '-P 2xn'
_space_group_name_H-M_alt        'P 21/n 1 1'
_cell_angle_alpha                90.0
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.615
_cell_length_b                   8.240
_cell_length_c                   5.953
_cell_volume                     422.589
_exptl_crystal_density_diffrn    4.448
_cod_original_formula_sum        'As Cu2 O5 H'
_cod_database_code               9011172
_database_code_amcsd 0009599
Refinement of the PbFCl types BaFI, BaFBr and CaFCl Note: matlockite structure
Liebich, W.; Nicollin, D.; Acta Crystallographica, Section B 33 (1977) 2790–2794; doi:10.1107/S0567740877009480

data_9011173
_publ_section_title
;
 Refinement of the PbFCl types BaFI, BaFBr and CaFCl
 Note: matlockite structure
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2790
_journal_page_last               2794
_journal_paper_doi               10.1107/S0567740877009480
_journal_volume                  33
_journal_year                    1977
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ca Cl F'
_chemical_name_mineral           Rorisite
_space_group_IT_number           129
_symmetry_space_group_name_Hall  '-P 4a 2a'
_symmetry_space_group_name_H-M   'P 4/n m m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.894
_cell_length_b                   3.894
_cell_length_c                   6.818
_cell_formula_units_Z            2
_cell_volume                     103.383
_database_code_amcsd             0009601
_exptl_crystal_density_diffrn    3.037
_cod_original_sg_symbol_H-M      'P 4/n m m'
_cod_database_code               9011173
Refinement of the PbFCl types BaFI, BaFBr and CaFCl Note: matlockite structure
Liebich, W.; Nicollin, D.; Acta Crystallographica, Section B 33 (1977) 2790–2794; doi:10.1107/S0567740877009480

data_9011174
_publ_section_title
;
 Refinement of the PbFCl types BaFI, BaFBr and CaFCl
 Note: matlockite structure
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2790
_journal_page_last               2794
_journal_paper_doi               10.1107/S0567740877009480
_journal_volume                  33
_journal_year                    1977
_chemical_compound_source        Synthetic
_chemical_formula_structural     BaBrF
_chemical_formula_sum            'Ba Br F'
_space_group_IT_number           129
_symmetry_space_group_name_Hall  '-P 4a 2a'
_symmetry_space_group_name_H-M   'P 4/n m m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.508
_cell_length_b                   4.508
_cell_length_c                   7.441
_cell_formula_units_Z            2
_cell_volume                     151.216
_database_code_amcsd             0009602
_exptl_crystal_density_diffrn    5.188
_cod_original_sg_symbol_H-M      'P 4/n m m'
_cod_database_code               9011174
_amcsd_formula_title             BaBrF
Refinement of the PbFCl types BaFI, BaFBr and CaFCl Note: matlockite structure
Liebich, W.; Nicollin, D.; Acta Crystallographica, Section B 33 (1977) 2790–2794; doi:10.1107/S0567740877009480

data_9011175
_publ_section_title
;
 Refinement of the PbFCl types BaFI, BaFBr and CaFCl
 Note: matlockite structure
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2790
_journal_page_last               2794
_journal_paper_doi               10.1107/S0567740877009480
_journal_volume                  33
_journal_year                    1977
_chemical_compound_source        Synthetic
_chemical_formula_structural     BaFI
_chemical_formula_sum            'Ba F I'
_space_group_IT_number           129
_symmetry_space_group_name_Hall  '-P 4a 2a'
_symmetry_space_group_name_H-M   'P 4/n m m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.654
_cell_length_b                   4.654
_cell_length_c                   7.962
_cell_formula_units_Z            2
_cell_volume                     172.455
_database_code_amcsd             0009603
_exptl_crystal_density_diffrn    5.454
_cod_original_sg_symbol_H-M      'P 4/n m m'
_cod_original_formula_sum        'Ba I F'
_cod_database_code               9011175
_amcsd_formula_title             BaFI
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_9011176
_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 H9.667 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
_cod_data_source_file            08854.cif
_cod_data_source_block           global
_cod_original_formula_sum        'Sr.71 Ba.24 K.01 Al2 Si6 O21 H9.667'
_cod_database_code               9011176
_cod_duplicate_entry 9007622
Refinement of the structures of low and high hyalophanes Sample: Low hyalophane
De Pieri, R.; Quareni, S.; Hall, K. M.; Acta Crystallographica, Section B 33 (1977) 3073–3076; doi:10.1107/S0567740877010280

data_9011177
_publ_section_title
;
 Refinement of the structures of low and high hyalophanes
 Sample: Low hyalophane
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              3073
_journal_page_last               3076
_journal_paper_doi               10.1107/S0567740877010280
_journal_volume                  33
_journal_year                    1977
_chemical_formula_sum            'Al1.42 Ba0.39 Ca0.01 K0.43 Na0.17 O8 Si2.58'
_chemical_name_mineral           Hyalophane
_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                 115.69
_cell_angle_gamma                90
_cell_length_a                   8.557
_cell_length_b                   13.040
_cell_length_c                   7.200
_cell_formula_units_Z            4
_cell_volume                     723.986
_database_code_amcsd             0009608
_exptl_crystal_density_diffrn    2.876
_cod_original_formula_sum        '(K.43 Ba.39 Na.17 Ca.01) (Si2.58 Al1.42) O8'
_cod_database_code               9011177
Refinement of the structures of low and high hyalophanes Sample: High hyalophane
De Pieri, R.; Quareni, S.; Hall, K. M.; Acta Crystallographica, Section B 33 (1977) 3073–3076; doi:10.1107/S0567740877010280

data_9011178
_publ_section_title
;
 Refinement of the structures of low and high hyalophanes
 Sample: High hyalophane
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              3073
_journal_page_last               3076
_journal_paper_doi               10.1107/S0567740877010280
_journal_volume                  33
_journal_year                    1977
_chemical_formula_sum            'Al1.42 Ba0.39 Ca0.01 K0.43 Na0.17 O8 Si2.58'
_chemical_name_mineral           Hyalophane
_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                 115.63
_cell_angle_gamma                90
_cell_length_a                   8.556
_cell_length_b                   13.045
_cell_length_c                   7.189
_cell_formula_units_Z            4
_cell_volume                     723.436
_database_code_amcsd             0009609
_exptl_crystal_density_diffrn    2.878
_cod_original_formula_sum        '(K.43 Ba.39 Na.17 Ca.01) (Si2.58 Al1.42) O8'
_cod_database_code               9011178