LMucko/crystallography-open-database huggingface dataset:
An X-ray study of phase transitions in Na Nb O3
Solov'ev, S.P.; Zhdanov, G.S.; Venevtsev, Yu.N.; Kristallografiya 6 (1961) 218–224; doi:

data_1542168
_publ_section_title
;
 An X-ray study of phase transitions in Na Nb O3
;
_journal_name_full               Kristallografiya
_journal_page_first              218
_journal_page_last               224
_journal_volume                  6
_journal_year                    1961
_chemical_formula_sum            'Na Nb O3'
_chemical_name_systematic        'Na (Nb O3)'
_space_group_IT_number           221
_symmetry_space_group_name_Hall  '-P 4 2 3'
_symmetry_space_group_name_H-M   'P m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.9404
_cell_length_b                   3.9404
_cell_length_c                   3.9404
_cell_volume                     61.182
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Solovev_KRISAJ_1961_809.cif
_cod_data_source_block           Na1Nb1O3
_cod_original_cell_volume        61.18161
_cod_original_formula_sum        'Na1 Nb1 O3'
_cod_database_code               1542168
Least-squares refinement of the crystal structure of Hg (O Hg)4 Br2
Aurivillius, K.; Arkiv foer Kemi 28 (1968) 279–288; doi:

data_1542169
_publ_section_title
;
 Least-squares refinement of the crystal structure of Hg (O Hg)4 Br2
;
_journal_name_full               'Arkiv foer Kemi'
_journal_page_first              279
_journal_page_last               288
_journal_volume                  28
_journal_year                    1968
_chemical_formula_sum            'Br2 Hg5 O4'
_chemical_name_systematic        'Hg (Hg O)4 Br2'
_space_group_IT_number           72
_symmetry_space_group_name_Hall  '-I 2 2c'
_symmetry_space_group_name_H-M   'I b a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.888
_cell_length_b                   6.185
_cell_length_c                   11.746
_cell_volume                     863.651
_citation_journal_id_ASTM        ARKEAD
_cod_data_source_file            Aurivillius_ARKEAD_1968_589.cif
_cod_data_source_block           Br2Hg5O4
_cod_original_cell_volume        863.6514
_cod_database_code               1542169
Darstellung und Kristallstruktur der Samarium-, Europium- und Ytterbium-oxidbromide Ln O Br und Ln3 O4 Br
Baernighausen, H.; Brauer, G.; Schultz, N.; Zeitschrift fuer Anorganische und Allgemeine Chemie 338 (1965) 250–265; doi:

data_1542170
_publ_section_title
;
 Darstellung und Kristallstruktur der Samarium-, Europium- und
 Ytterbium-oxidbromide Ln O Br und Ln3 O4 Br
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              250
_journal_page_last               265
_journal_volume                  338
_journal_year                    1965
_chemical_formula_sum            'Cl Eu O'
_chemical_name_systematic        'Eu O Cl'
_space_group_IT_number           129
_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                   3.9646
_cell_length_b                   3.9646
_cell_length_c                   6.695
_cell_volume                     105.232
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Baernighausen_ZAACAB_1965_775.cif
_cod_data_source_block           Cl1Eu1O1
_cod_original_cell_volume        105.2324
_cod_original_sg_symbol_Hall     '-P 4a 2a (x-1/4,y+1/4,z)'
_cod_original_formula_sum        'Cl1 Eu1 O1'
_cod_database_code               1542170
Crystal structure of dipotassium sodium catena-diarsenidogallate
Somer, M.; Peters, K.; Peters, E.M.; von Schnering, H.G.; Zeitschrift fuer Kristallographie (149,1979-) 193 (1990) 285–286; doi:

data_8104487
_publ_section_title
;
 Crystal structure of dipotassium sodium catena-diarsenidogallate
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              285
_journal_page_last               286
_journal_volume                  193
_journal_year                    1990
_chemical_formula_sum            'As2 Ga K2 Na'
_chemical_name_systematic        'K2 Na (Ga As2)'
_space_group_IT_number           72
_symmetry_space_group_name_Hall  '-I 2 2c'
_symmetry_space_group_name_H-M   'I b a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.7331
_cell_length_b                   14.8089
_cell_length_c                   6.5736
_cell_volume                     655.452
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Somer_ZEKRDZ_1990_1419.cif
_cod_data_source_block           As2Ga1K2Na1
_cod_original_cell_volume        655.4523
_cod_original_formula_sum        'As2 Ga1 K2 Na1'
_cod_database_code               8104487
Darstellung und Kristallstruktur der Samarium-, Europium- und Ytterbium-oxidbromide Ln O Br und Ln3 O4 Br
Baernighausen, H.; Brauer, G.; Schultz, N.; Zeitschrift fuer Anorganische und Allgemeine Chemie 338 (1965) 250–265; doi:

data_1542171
_publ_section_title
;
 Darstellung und Kristallstruktur der Samarium-, Europium- und
 Ytterbium-oxidbromide Ln O Br und Ln3 O4 Br
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              250
_journal_page_last               265
_journal_volume                  338
_journal_year                    1965
_chemical_formula_sum            'Br Eu O'
_chemical_name_systematic        'Eu O Br'
_space_group_IT_number           129
_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                   3.924
_cell_length_b                   3.924
_cell_length_c                   8.015
_cell_volume                     123.413
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Baernighausen_ZAACAB_1965_777.cif
_cod_data_source_block           Br1Eu1O1
_cod_original_cell_volume        123.4132
_cod_original_sg_symbol_Hall     '-P 4a 2a (x-1/4,y+1/4,z)'
_cod_original_formula_sum        'Br1 Eu1 O1'
_cod_database_code               1542171
Crystal structure of dipotassium sodium catena-di-muearsenidoindate
Somer, M.; Peters, K.; Peters, E.; von Schnering, H.G.; Zeitschrift fuer Kristallographie (149,1979-) 195 (1991) 97–98; doi:

data_8104488
_publ_section_title
;
 Crystal structure of dipotassium sodium catena-di-muearsenidoindate
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              97
_journal_page_last               98
_journal_volume                  195
_journal_year                    1991
_chemical_formula_sum            'As2 In K2 Na'
_chemical_name_systematic        'K2 Na (In As2)'
_space_group_IT_number           72
_symmetry_space_group_name_Hall  '-I 2 2c'
_symmetry_space_group_name_H-M   'I b a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.7709
_cell_length_b                   15.288
_cell_length_c                   6.7829
_cell_volume                     702.122
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Somer_ZEKRDZ_1991_1427.cif
_cod_data_source_block           As2In1K2Na1
_cod_original_cell_volume        702.1218
_cod_original_formula_sum        'As2 In1 K2 Na1'
_cod_database_code               8104488
Darstellung und Kristallstruktur der Samarium-, Europium- und Ytterbium-oxidbromide Ln O Br und Ln3 O4 Br
Baernighausen, H.; Brauer, G.; Schultz, G.; Zeitschrift fuer Anorganische und Allgemeine Chemie 338 (1965) 250–265; doi:

data_1542172
_publ_section_title
;
 Darstellung und Kristallstruktur der Samarium-, Europium- und
 Ytterbium-oxidbromide Ln O Br und Ln3 O4 Br
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              250
_journal_page_last               265
_journal_volume                  338
_journal_year                    1965
_chemical_formula_sum            'Br O Yb'
_chemical_name_systematic        'Yb O Br'
_space_group_IT_number           129
_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                   3.7847
_cell_length_b                   3.7847
_cell_length_c                   8.309
_cell_volume                     119.018
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Baernighausen_ZAACAB_1965_778.cif
_cod_data_source_block           Br1O1Yb1
_cod_original_cell_volume        119.0177
_cod_original_sg_symbol_Hall     '-P 4a 2a (x-1/4,y+1/4,z)'
_cod_original_formula_sum        'Br1 O1 Yb1'
_cod_database_code               1542172
The crystal structure of arsenic telluroiodide, As5 Te7 I
Stergiou, A.C.; Rentzeperis, P.J.; Zeitschrift fuer Kristallographie (149,1979-) 172 (1985) 111–119; doi:

data_8104489
_publ_section_title
;
 The crystal structure of arsenic telluroiodide, As5 Te7 I
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              111
_journal_page_last               119
_journal_volume                  172
_journal_year                    1985
_chemical_formula_sum            'As5 I Te7'
_chemical_name_systematic        'As5 Te7 I'
_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                 110.581
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   14.5661
_cell_length_b                   4.0353
_cell_length_c                   13.8633
_cell_volume                     762.857
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Stergiou_ZEKRDZ_1985_1986.cif
_cod_data_source_block           As5I1Te7
_cod_original_cell_volume        762.8573
_cod_original_formula_sum        'As5 I1 Te7'
_cod_database_code               8104489
Crystal structure of solid hydrogen and deuterium, and of neon-hydrogen and neon-deuterium mixtures
Barrett, C. S.; Meyer, L.; Wassermann, J.; Journal of Chemical Physics 45 (1966) 834–837; doi:10.1063/1.1727691

data_1542173
_publ_section_title
;
 Crystal structure of solid hydrogen and deuterium, and of neon-hydrogen
 and neon-deuterium mixtures
;
_journal_coden_ASTM              JCPSA6
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              834
_journal_page_last               837
_journal_paper_doi               10.1063/1.1727691
_journal_volume                  45
_journal_year                    1966
_chemical_formula_sum            H
_space_group_IT_number           197
_symmetry_space_group_name_Hall  'I 2 2 3'
_symmetry_space_group_name_H-M   'I 2 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.21
_cell_length_b                   5.21
_cell_length_c                   5.21
_cell_volume                     141.421
_cod_data_source_file            Barrett_JCPSA6_1966_726.cif
_cod_data_source_block           H2
_cod_original_cell_volume        141.4208
_cod_original_formula_sum        H2
_cod_original_formula_units_Z    1
_cod_database_code               1542173
Crystal structure refinement of osmium(II) ditelluride
Stingl, T.; Mueller, B.; Lutz, H.D.; Zeitschrift fuer Kristallographie (149,1979-) 202 (1992) 163–164; doi:

data_8104490
_publ_section_title
;
 Crystal structure refinement of osmium(II) ditelluride
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              163
_journal_page_last               164
_journal_volume                  202
_journal_year                    1992
_chemical_formula_sum            'Os Te2'
_space_group_IT_number           205
_symmetry_space_group_name_Hall  '-P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P a -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.397
_cell_length_b                   6.397
_cell_length_c                   6.397
_cell_volume                     261.776
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Stingl_ZEKRDZ_1992_1503.cif
_cod_data_source_block           Os1Te2
_cod_original_cell_volume        261.7755
_cod_original_formula_sum        'Os1 Te2'
_cod_database_code               8104490
Crystal structure of solid hydrogen and deuterium, and of neon-hydrogen and neon-deuterium mixtures
Barrett, C. S.; Meyer, L.; Wassermann, J.; Journal of Chemical Physics 45 (1966) 834–837; doi:10.1063/1.1727691

data_1542174
_publ_section_title
;
 Crystal structure of solid hydrogen and deuterium, and of neon-hydrogen
 and neon-deuterium mixtures
;
_journal_coden_ASTM              JCPSA6
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              834
_journal_page_last               837
_journal_paper_doi               10.1063/1.1727691
_journal_volume                  45
_journal_year                    1966
_chemical_formula_sum            D
_space_group_IT_number           197
_symmetry_space_group_name_Hall  'I 2 2 3'
_symmetry_space_group_name_H-M   'I 2 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.21
_cell_length_b                   5.21
_cell_length_c                   5.21
_cell_volume                     141.421
_cod_data_source_file            Barrett_JCPSA6_1966_727.cif
_cod_data_source_block           D2
_cod_original_cell_volume        141.4208
_cod_original_formula_sum        D2
_cod_original_formula_units_Z    2
_cod_database_code               1542174
The Sodium Tungsten Bronzes. I. Chemical Properties and Structure
Straumanis, M.E.; Journal of the American Chemical Society 71 (1949) 679–683; doi:

data_4124869
_publ_section_title
;
 The Sodium Tungsten Bronzes. I. Chemical Properties and Structure
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              679
_journal_page_last               683
_journal_volume                  71
_journal_year                    1949
_chemical_formula_sum            'Na O3 W'
_chemical_name_systematic        'Na W O3'
_space_group_IT_number           221
_symmetry_space_group_name_Hall  '-P 4 2 3'
_symmetry_space_group_name_H-M   'P m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.86
_cell_length_b                   3.86
_cell_length_c                   3.86
_cell_volume                     57.512
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Straumanis_JACSAT_1949_996.cif
_cod_data_source_block           Na1O3W1
_cod_original_cell_volume        57.51245
_cod_original_formula_sum        'Na1 O3 W1'
_cod_database_code               4124869
The crystal structure of ammonium monofluorophosphate: (N H4)2 P O3 F (H2 O)
Berndt, A. F.; Sylvester, J. M.; Acta Crystallographica B (24,1968-38,1982) 28 (1972) 2191–2193; doi:

data_2107431
_publ_section_title
;
 The crystal structure of ammonium monofluorophosphate: (N H4)2 P O3 F (H2
 O)
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              2191
_journal_page_last               2193
_journal_volume                  28
_journal_year                    1972
_chemical_formula_sum            'F H10 N2 O4 P'
_chemical_name_systematic        '(N H4)2 P O3 F (H2 O)'
_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                 98.58
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.298
_cell_length_b                   8.311
_cell_length_c                   12.702
_cell_volume                     657.416
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Berndt_ACBCAR_1972_255.cif
_cod_data_source_block           H10F1N2O4P1
_cod_original_cell_volume        657.4159
_cod_original_formula_sum        'H10 F1 N2 O4 P1'
_cod_database_code               2107431
High-pressure synthesis and structural refinement of Cd Ge O3 ilmenite
Susaki, J.; Konno, M.; Akimoto, S.; Zeitschrift fuer Kristallographie (149,1979-) 171 (1985) 243–252; doi:

data_8104491
_publ_section_title
;
 High-pressure synthesis and structural refinement of Cd Ge O3 ilmenite
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              243
_journal_page_last               252
_journal_volume                  171
_journal_year                    1985
_chemical_formula_sum            'Cd Ge O3'
_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            6
_cell_length_a                   5.0988
_cell_length_b                   5.0988
_cell_length_c                   14.932
_cell_volume                     336.190
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Susaki_ZEKRDZ_1985_1983.cif
_cod_data_source_block           Cd1Ge1O3
_cod_original_cell_volume        336.1898
_cod_original_formula_sum        'Cd1 Ge1 O3'
_cod_database_code               8104491
X-ray structural analysis of crystals of Ru (N H3)4 (N O) (O H) Cl2
Bokii, G.B.; Parpiev, N.A.; Kristallografiya 2 (1957) 691–693; doi:

data_1542175
_publ_section_title
;
 X-ray structural analysis of crystals of Ru (N H3)4 (N O) (O H) Cl2
;
_journal_name_full               Kristallografiya
_journal_page_first              691
_journal_page_last               693
_journal_volume                  2
_journal_year                    1957
_chemical_formula_sum            'Cl2 H13 N5 O2 Ru'
_chemical_name_systematic        '(Ru (N H3)4 (N O) (O H)) Cl2'
_space_group_IT_number           5
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 101.25
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.48
_cell_length_b                   7.44
_cell_length_c                   10.75
_cell_volume                     900.528
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Bokii_KRISAJ_1957_1697.cif
_cod_data_source_block           H13Cl2N5O2Ru1
_cod_original_formula_sum        'H13 Cl2 N5 O2 Ru1'
_cod_database_code               1542175
An X-ray study of the low temperature form of Mg Si F6 (H2 O)6 and the relations between the crystal lattices of low-and high-temperature forms
Syoyama, S.; Osaki, K.; Acta Crystallographica B (24,1968-38,1982) 28 (1972) 2626–2627; doi:

data_2107432
_publ_section_title
;
 An X-ray study of the low temperature form of Mg Si F6 (H2 O)6 and the
 relations between the crystal lattices of low-and high-temperature forms
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              2626
_journal_page_last               2627
_journal_volume                  28
_journal_year                    1972
_chemical_formula_sum            'F6 H12 Mg O6 Si'
_chemical_name_systematic        'Mg (Si F6) (H2 O)6'
_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                 99.24
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.46
_cell_length_b                   9.524
_cell_length_c                   8.46
_cell_volume                     513.748
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Syoyama_ACBCAR_1972_548.cif
_cod_data_source_block           H12F6Mg1O6Si1
_cod_original_formula_sum        'H12 F6 Mg1 O6 Si1'
_cod_database_code               2107432
The crystal structures of warwickite, ludwigite and pinakiolite
Takeuchi, Y.; Ito, T.; Watanabe, T.; Acta Crystallographica (1,1948-23,1967) 3 (1950) 98–107; doi:

data_2311075
_publ_section_title
;
 The crystal structures of warwickite, ludwigite and pinakiolite
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              98
_journal_page_last               107
_journal_volume                  3
_journal_year                    1950
_chemical_formula_sum            'B2 Mg3 O8 Ti'
_chemical_name_systematic        '(Mg3 Ti) (B O3)2 O2'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2n'
_symmetry_space_group_name_H-M   'P n a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.2
_cell_length_b                   9.45
_cell_length_c                   3.01
_cell_volume                     261.689
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Takeuchi_ACCRA9_1950_1814.cif
_cod_data_source_block           B2Mg3O8Ti1
_cod_original_cell_volume        261.6894
_cod_original_sg_symbol_Hall     '-P 2ac 2n (-x,z,y)'
_cod_original_formula_sum        'B2 Mg3 O8 Ti1'
_cod_database_code               2311075
Isomorphism and allotropy in compounds of the type A2 X O4
Bredig, M.A.; Journal of Physical Chemistry 46 (1942) 747–764; doi:

data_1542176
_publ_section_title
;
 Isomorphism and allotropy in compounds of the type A2 X O4
;
_journal_name_full               'Journal of Physical Chemistry'
_journal_page_first              747
_journal_page_last               764
_journal_volume                  46
_journal_year                    1942
_chemical_formula_sum            'Ca Na O4 P'
_chemical_name_systematic        'Ca Na (P O4)'
_space_group_IT_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            2
_cell_length_a                   5.23
_cell_length_b                   5.23
_cell_length_c                   7.04
_cell_volume                     166.766
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_cod_original_formula_sum        'Ca1 Na1 O4 P1'
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