LMucko/crystallography-open-database huggingface dataset:
The Crystal Structure of (Cd S O~4~)~3~ (H~2~ O)~8~
Lipson, H; Proceedings of the Royal Society of London, Series A: Mathematical and Physical Sciences (76,1906-) 156 (1936) 462–470; doi:10.1098/rspa.1936.0161

data_1010534
_publ_section_title
;
The Crystal Structure of (Cd S O~4~)~3~ (H~2~ O)~8~
;
_journal_coden_ASTM              PRLAAZ
_journal_name_full
;
Proceedings of the Royal Society of London, Series A: Mathematical and
Physical Sciences (76,1906-)
;
_journal_page_first              462
_journal_page_last               470
_journal_paper_doi               10.1098/rspa.1936.0161
_journal_volume                  156
_journal_year                    1936
_chemical_formula_structural     'Cd S O4 (H2 O)2.667'
_chemical_formula_sum            'Cd H5.334 O6.667 S'
_chemical_name_systematic        'Cadmium sulfate 2.66-hydrate'
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-I 2ya'
_symmetry_space_group_name_H-M   'I 1 2/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 117.27(8)
_cell_angle_gamma                90
_cell_formula_units_Z            12
_cell_length_a                   9.44(1)
_cell_length_b                   11.87(1)
_cell_length_c                   16.49(2)
_cell_volume                     1642.4
_cod_original_formula_sum        'H5.334 Cd O6.667 S'
_cod_database_code               1010534
Die Kristallstruktur der Telluride von Zink,Cadmium und Quecksilber
Zachariasen, W H; Norsk Geologisk Tidsskrift 8 (1926) 302–306; doi:

data_1010535
_publ_section_title
;
Die Kristallstruktur der Telluride von Zink,Cadmium und Quecksilber
;
_journal_coden_ASTM              NOGTAO
_journal_name_full               'Norsk Geologisk Tidsskrift'
_journal_page_first              302
_journal_page_last               306
_journal_volume                  8
_journal_year                    1926
_chemical_formula_structural     'Zn Te'
_chemical_formula_sum            'Te Zn'
_chemical_name_systematic        'Zinc telluride'
_space_group_IT_number           225
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.07
_cell_length_b                   6.07
_cell_length_c                   6.07
_cell_volume                     223.6
_exptl_crystal_density_meas      5.54
_cod_database_code               1010535
Die Kristallstruktur der Telluride von Zink,Cadmium und Quecksilber
Zachariasen, W H; Norsk Geologisk Tidsskrift 8 (1926) 302–306; doi:

data_1010536
_publ_section_title
;
Die Kristallstruktur der Telluride von Zink,Cadmium und Quecksilber
;
_journal_coden_ASTM              NOGTAO
_journal_name_full               'Norsk Geologisk Tidsskrift'
_journal_page_first              302
_journal_page_last               306
_journal_volume                  8
_journal_year                    1926
_chemical_formula_structural     'Cd Te'
_chemical_formula_sum            'Cd Te'
_chemical_name_systematic        'Cadmium telluride'
_space_group_IT_number           225
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.41
_cell_length_b                   6.41
_cell_length_c                   6.41
_cell_volume                     263.4
_exptl_crystal_density_meas      6.2
_cod_database_code               1010536
Die Kristallstruktur der Telluride von Zink,Cadmium und Quecksilber
Zachariasen, W H; Norsk Geologisk Tidsskrift 8 (1926) 302–306; doi:

data_1010537
_publ_section_title
;
Die Kristallstruktur der Telluride von Zink,Cadmium und Quecksilber
;
_journal_coden_ASTM              NOGTAO
_journal_name_full               'Norsk Geologisk Tidsskrift'
_journal_page_first              302
_journal_page_last               306
_journal_volume                  8
_journal_year                    1926
_chemical_formula_structural     'Hg Te'
_chemical_formula_sum            'Hg Te'
_chemical_name_systematic        'Mercury telluride'
_space_group_IT_number           225
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.36
_cell_length_b                   6.36
_cell_length_c                   6.36
_cell_volume                     257.3
_exptl_crystal_density_meas      8.63
_cod_database_code               1010537
Die Kristallstruktur der Telluride von Zink,Cadmium und Quecksilber
Zachariasen, W H; Norsk Geologisk Tidsskrift 8 (1926) 302–306; doi:

data_1010538
_publ_section_title
;
Die Kristallstruktur der Telluride von Zink,Cadmium und Quecksilber
;
_journal_coden_ASTM              NOGTAO
_journal_name_full               'Norsk Geologisk Tidsskrift'
_journal_page_first              302
_journal_page_last               306
_journal_volume                  8
_journal_year                    1926
_chemical_formula_structural     'Zn Te'
_chemical_formula_sum            'Te Zn'
_chemical_name_systematic        'Zinc telluride'
_space_group_IT_number           216
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      216
_symmetry_space_group_name_Hall  'F -4 2 3'
_symmetry_space_group_name_H-M   'F -4 3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.07
_cell_length_b                   6.07
_cell_length_c                   6.07
_cell_volume                     223.6
_exptl_crystal_density_meas      5.54
_cod_database_code               1010538
Die Kristallstruktur der Telluride von Zink,Cadmium und Quecksilber
Zachariasen, W H; Norsk Geologisk Tidsskrift 8 (1926) 302–306; doi:

data_1010539
_publ_section_title
;
Die Kristallstruktur der Telluride von Zink,Cadmium und Quecksilber
;
_journal_coden_ASTM              NOGTAO
_journal_name_full               'Norsk Geologisk Tidsskrift'
_journal_page_first              302
_journal_page_last               306
_journal_volume                  8
_journal_year                    1926
_chemical_formula_structural     'Cd Te'
_chemical_formula_sum            'Cd Te'
_chemical_name_systematic        'Cadmium telluride'
_space_group_IT_number           216
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      216
_symmetry_space_group_name_Hall  'F -4 2 3'
_symmetry_space_group_name_H-M   'F -4 3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.41
_cell_length_b                   6.41
_cell_length_c                   6.41
_cell_volume                     263.4
_exptl_crystal_density_meas      6.2
_cod_database_code               1010539
Crystal Structure of the Low Temperature Modification of Ammonium Bromide
Ketelaar, J A A; Nature (London) 134 (1934) 250–251; doi:

data_1010540
_publ_section_title
;
Crystal Structure of the Low Temperature Modification of Ammonium
Bromide
;
_journal_coden_ASTM              NATUAS
_journal_name_full               'Nature (London)'
_journal_page_first              250
_journal_page_last               251
_journal_volume                  134
_journal_year                    1934
_chemical_formula_structural     'N H4 Br'
_chemical_formula_sum            'Br H4 N'
_chemical_name_systematic        'Ammonium bromide'
_space_group_IT_number           129
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'P 4ab 2ab -1ab'
_symmetry_space_group_name_H-M   'P 4/n m m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.007(6)
_cell_length_b                   6.007(6)
_cell_length_c                   4.035(4)
_cell_volume                     145.6
_cod_depositor_comments
;
 Removing dummy H atoms since the hydrogen atoms they represent are already
 marked using the _atom_site_attached_hydrogens data item.

 Antanas Vaitkus,
 2017-09-11
;
_cod_original_sg_symbol_H-M      'P 4/n m m S'
_cod_original_formula_sum        'H4 Br N'
_cod_database_code               1010540
The Structure of Beryl, Be~3~ Al~2~ Si~6~ O~18~
Bragg, W L; Proceedings of the Royal Society of London, Series A: Mathematical and Physical Sciences (76,1906-) 111 (1926) 691–714; doi:10.1098/rspa.1926.0088

data_1010541
_publ_section_title
;
The Structure of Beryl, Be~3~ Al~2~ Si~6~ O~18~
;
_journal_coden_ASTM              PRLAAZ
_journal_name_full
;
Proceedings of the Royal Society of London, Series A: Mathematical and
Physical Sciences (76,1906-)
;
_journal_page_first              691
_journal_page_last               714
_journal_paper_doi               10.1098/rspa.1926.0088
_journal_volume                  111
_journal_year                    1926
_chemical_formula_structural     'Be3 Al2 Si6 O18'
_chemical_formula_sum            'Al2 Be3 O18 Si6'
_chemical_name_systematic        'Triberyllium dialuminium catena-silicate'
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      192
_symmetry_space_group_name_H-M   'P 6/m c c S'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   9.21(1)
_cell_length_b                   9.21(1)
_cell_length_c                   9.17(1)
_cell_volume                     673.6
_cod_database_code               1010541
The Crystal Structures of Barytes, Celestine and Anglesite
James, R. W.; Wood, W. A.; Proceedings of the Royal Society of London, Series A: Mathematical and Physical Sciences (76,1906-) 109 (1925) 598–620; doi:10.1098/rspa.1925.0148

data_1010542
_publ_section_title
;
 The Crystal Structures of Barytes, Celestine and Anglesite
;
_journal_coden_ASTM              PRLAAZ
_journal_name_full
;
Proceedings of the Royal Society of London, Series A: Mathematical and
Physical Sciences (76,1906-)
;
_journal_page_first              598
_journal_page_last               620
_journal_paper_doi               10.1098/rspa.1925.0148
_journal_volume                  109
_journal_year                    1925
_chemical_formula_structural     'Ba S O4'
_chemical_formula_sum            'Ba O4 S'
_chemical_name_mineral           Baryte
_chemical_name_systematic        'Barium sulfate'
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_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                   8.85
_cell_length_b                   5.43
_cell_length_c                   7.13
_cell_volume                     342.6
_cod_depositor_comments
;
 Copied several data items from duplicate entry 1010543 and updated
 the bibliographic information.

 Antanas Vaitkus,
 2020-10-12
;
_cod_database_code               9016579
The Crystal Structures of Barytes, Celestine and Anglesite
James, R. W.; Wood, W. A.; Proceedings of the Royal Society of London, Series A: Mathematical and Physical Sciences (76,1906-) 109 (1925) 598–620; doi:10.1098/rspa.1925.0148

data_1010543
_publ_section_title
;
 The Crystal Structures of Barytes, Celestine and Anglesite
;
_journal_coden_ASTM              PRLAAZ
_journal_name_full
;
Proceedings of the Royal Society of London, Series A: Mathematical and
Physical Sciences (76,1906-)
;
_journal_page_first              598
_journal_page_last               620
_journal_paper_doi               10.1098/rspa.1925.0148
_journal_volume                  109
_journal_year                    1925
_chemical_formula_structural     'Sr S O4'
_chemical_formula_sum            'O4 S Sr'
_chemical_name_mineral           Celestine
_chemical_name_systematic        'Strontium sulfate'
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_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                   8.36
_cell_length_b                   5.36
_cell_length_c                   6.84
_cell_volume                     306.5
_cod_depositor_comments
;
 Copied several data items from duplicate entry 9016565 and updated
 the bibliographic information.

 Antanas Vaitkus,
 2020-10-12
;
_cod_database_code               1010543
Ueber die Struktur einiger Dihalogenide
Doell, W; Klemm, W; Zeitschrift fuer Anorganische und Allgemeine Chemie 241 (1939) 239–258; doi:10.1002/zaac.19392410211

data_1010544
_publ_section_title              'Ueber die Struktur einiger Dihalogenide'
_journal_coden_ASTM              ZAACAB
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_page_first              239
_journal_page_last               258
_journal_paper_doi               10.1002/zaac.19392410211
_journal_volume                  241
_journal_year                    1939
_chemical_formula_structural     'Sm Cl2'
_chemical_formula_sum            'Cl2 Sm'
_chemical_name_systematic        'Samarium(II) chloride'
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_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                   4.49(7)
_cell_length_b                   7.53(2)
_cell_length_c                   8.97(3)
_cell_volume                     303.3
_cod_database_code               1010544
Ueber die Struktur einiger Dihalogenide
Doell, W; Klemm, W; Zeitschrift fuer Anorganische und Allgemeine Chemie 241 (1939) 239–258; doi:10.1002/zaac.19392410211

data_1010545
_publ_section_title              'Ueber die Struktur einiger Dihalogenide'
_journal_coden_ASTM              ZAACAB
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_page_first              239
_journal_page_last               258
_journal_paper_doi               10.1002/zaac.19392410211
_journal_volume                  241
_journal_year                    1939
_chemical_formula_structural     'Yb I2'
_chemical_formula_sum            'I2 Yb'
_chemical_name_systematic        'Ytterbium(II) iodide'
_space_group_IT_number           164
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   4.48(2)
_cell_length_b                   4.48(2)
_cell_length_c                   6.96(3)
_cell_volume                     121.0
_exptl_crystal_density_meas      5.7(2)
_cod_database_code               1010545
Magnetische und roentgenographische Untersuchungen am System Chrom- Tellur
Haraldsen, H; Neuber, A; Zeitschrift fuer Anorganische und Allgemeine Chemie 234 (1937) 358–371; doi:

data_1010546
_publ_section_title
;
Magnetische und roentgenographische Untersuchungen am System Chrom-
Tellur
;
_journal_coden_ASTM              ZAACAB
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_page_first              358
_journal_page_last               371
_journal_volume                  234
_journal_year                    1937
_chemical_formula_structural     'Cr Te'
_chemical_formula_sum            'Cr Te'
_chemical_name_systematic        'Chromium(II) telluride'
_space_group_IT_number           194
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   3.95(5)
_cell_length_b                   3.95(5)
_cell_length_c                   6.16
_cell_volume                     83.2
_cod_database_code               1010546
Vergleichende roentgenographische Untersuchungen von Arsenaten und Selenaten
Kokkoros, P; Praktika tes Akademias Athenon 13 (1938) 337–344; doi:

data_1010547
_publ_section_title
;
Vergleichende roentgenographische Untersuchungen von Arsenaten und
Selenaten
;
_journal_coden_ASTM              PAATAK
_journal_name_full               'Praktika tes Akademias Athenon'
_journal_page_first              337
_journal_page_last               344
_journal_volume                  13
_journal_year                    1938
_chemical_formula_structural     'Cd Se O4 (H2 O)2'
_chemical_formula_sum            'Cd H4 O6 Se'
_chemical_name_systematic        'Cadmium selenate dihydrate'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   10.42
_cell_length_b                   10.71
_cell_length_c                   9.365
_cell_volume                     1045.1
_cod_original_formula_sum        'H4 Cd O6 Se'
_cod_database_code               1010547
Vergleichende roentgenographische Untersuchungen von Arsenaten und Selenaten
Kokkoros, P; Praktika tes Akademias Athenon 13 (1938) 337–344; doi:

data_1010548
_chemical_name_systematic          'Manganese selenate dihydrate'
_chemical_formula_structural       'Mn Se O4 (H2 O)2'
_chemical_formula_sum              'H4 Mn O6 Se'
_publ_section_title
;
Vergleichende roentgenographische Untersuchungen von Arsenaten und
Selenaten
;
loop_
_publ_author_name                  'Kokkoros, P'
_journal_name_full                 'Praktika tes Akademias Athenon'
_journal_coden_ASTM                PAATAK
_journal_volume                    13
_journal_year                      1938
_journal_page_first                337
_journal_page_last                 344
_cell_length_a                     10.47
_cell_length_b                     10.51
_cell_length_c                     9.24
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       1016.8
_cell_formula_units_Z              8
_cod_database_code 1010548
Crystal structure of Cancrinite from Dôdô, Korea, II
Kôzu, Shukusuké; Takané, Katsutoshi; Proceedings of the Imperial Academy (Tokyo) 9 (1933) 105–108; doi:10.2183/pjab1912.9.105

data_1010549
_publ_section_title
;
 Crystal structure of Cancrinite from D\^od\^o, Korea, II
;
_journal_coden_ASTM              PIATA8
_journal_issue                   3
_journal_name_full               'Proceedings of the Imperial Academy (Tokyo)'
_journal_page_first              105
_journal_page_last               108
_journal_paper_doi               10.2183/pjab1912.9.105
_journal_volume                  9
_journal_year                    1933
_chemical_compound_source        'from Dodo, Korea'
_chemical_formula_structural     '(Na Al Si O4)3 Ca C O3'
_chemical_formula_sum            'C Al3 Ca Na3 O15 Si3'
_chemical_name_mineral           Cancrinite
_chemical_name_systematic
;
Trisodium calcium trialuminium tris(silicate) carbonate
;
_space_group_IT_number           173
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      173
_symmetry_space_group_name_Hall  'P 6c'
_symmetry_space_group_name_H-M   'P 63'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   12.72
_cell_length_b                   12.72
_cell_length_c                   5.18
_cell_volume                     725.8
_exptl_crystal_density_meas      2.44
_cod_depositor_comments
;
 Adding the _citation_author_ordinal data item.

 Antanas Vaitkus,
 2018-08-07

 Correcting the summary chemical formula by changing it from
 'Al3 Ca Na3 O15 Si3' to 'C Al3 Ca Na3 O15 Si3'.

 Antanas Vaitkus,
 2018-07-07

 Correcting a mistake in the _atom_site_* loop by adding correct
 values for the 'O(V)' atom.

 Antanas Vaitkus,
 2017-01-18
;
_cod_database_code               1010549
An X-Ray Study of the Caesium Salts of Certain 12-Heteropoly Acids
Santos, J A; Proceedings of the Royal Society of London, Series A: Mathematical and Physical Sciences (76,1906-) 150 (1935) 309–322; doi:10.1098/rspa.1935.0103

data_1010550
_publ_section_title
;
An X-Ray Study of the Caesium Salts of Certain 12-Heteropoly Acids
;
_journal_coden_ASTM              PRLAAZ
_journal_name_full
;
Proceedings of the Royal Society of London, Series A: Mathematical and
Physical Sciences (76,1906-)
;
_journal_page_first              309
_journal_page_last               322
_journal_paper_doi               10.1098/rspa.1935.0103
_journal_volume                  150
_journal_year                    1935
_chemical_formula_structural     'Cs3 P W12 O40 (H2 O)'
_chemical_formula_sum            'Cs3 H2 O41 P W12'
_chemical_name_systematic        'Tricaesium dodecatungstatophosphate hydrate'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            0
_cell_length_a                   11.830(5)
_cell_length_b                   11.830(5)
_cell_length_c                   11.830(5)
_cell_volume                     1655.6
_cod_original_formula_sum        'H2 Cs3 O41 P W12'
_cod_database_code               1010550
An X-Ray Study of the Caesium Salts of Certain 12-Heteropoly Acids
Santos, J A; Proceedings of the Royal Society of London, Series A: Mathematical and Physical Sciences (76,1906-) 150 (1935) 309–322; doi:10.1098/rspa.1935.0103

data_1010551
_publ_section_title
;
An X-Ray Study of the Caesium Salts of Certain 12-Heteropoly Acids
;
_journal_coden_ASTM              PRLAAZ
_journal_name_full
;
Proceedings of the Royal Society of London, Series A: Mathematical and
Physical Sciences (76,1906-)
;
_journal_page_first              309
_journal_page_last               322
_journal_paper_doi               10.1098/rspa.1935.0103
_journal_volume                  150
_journal_year                    1935
_chemical_formula_structural     'Cs3 H2 B W12 O40 (H2 O)'
_chemical_formula_sum            'B Cs3 H4 O41 W12'
_chemical_name_systematic
;
Tricaesium dihydrogen dodecatungstoborate hydrate
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            0
_cell_length_a                   11.832(4)
_cell_length_b                   11.832(4)
_cell_length_c                   11.832(4)
_cell_volume                     1656.4
_cod_original_formula_sum        'H4 B Cs3 O41 W12'
_cod_database_code               1010551