LMucko/crystallography-open-database huggingface dataset:
; Strukturbericht 3 () 672–; doi:

data_5900033
_journal_name_full               Strukturbericht
_journal_page_first              672
_journal_volume                  3
_chemical_formula_sum            'C2 H2 O4'
_chemical_name_systematic        'Ethanedioic acid of form beta'
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 115.5
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.30
_cell_length_b                   6.09
_cell_length_c                   5.51
_cod_data_source_file            033_ethanedioic_acid_beta.cif
_cod_data_source_block           ethanedioic_acid_beta
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-15

 Added the _citation_author_ordinal data item to the CITATION_AUTHOR loop
 and updated the _citation_author_name data item value.

 Antanas Vaitkus,
 2021-05-03
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               5900033
A refinement of the crystal structure analyses of oxalic acid dihydrate
Ahmed, F. R.; Cruickshank, D. W. J.; Acta Crystallographica 6 (1953) 385–392; doi:10.1107/S0365110X53001083

data_5900034
_publ_section_title
;
 A refinement of the crystal structure analyses of oxalic acid dihydrate
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica'
_journal_page_first              385
_journal_page_last               392
_journal_paper_doi               10.1107/S0365110X53001083
_journal_volume                  6
_journal_year                    1953
_chemical_formula_sum            'C2 H6 O6'
_chemical_name_systematic        'Oxalic acid dihydrate'
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 106.2
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.119
_cell_length_b                   6.604
_cell_length_c                   12.051
_cod_data_source_file            034_oxalic_acid_dihydrate.cif
_cod_data_source_block           oxalic_acid_dihydrate
_cod_depositor_comments
;
 Added the _citation_author_ordinal data item to the CITATION_AUTHOR loop
 and updated the _citation_author_name data item value.

 Antanas Vaitkus,
 2021-05-03
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               5900034
The crystal and molecular structure of certain dicarboxylic acids. Part II. Acetylenedicarboxylic acid dihydrate
Dunitz, J. D.; Robertson, J. Monteath; Journal of the Chemical Society  (1947) 148–154; doi:10.1039/JR9470000148

data_5900035
_publ_section_title
;
 The crystal and molecular structure of certain dicarboxylic acids.
 Part II. Acetylenedicarboxylic acid dihydrate
;
_journal_name_full               'Journal of the Chemical Society'
_journal_page_first              148
_journal_page_last               154
_journal_paper_doi               10.1039/JR9470000148
_journal_year                    1947
_chemical_formula_sum            'C4 H6 O6'
_chemical_name_systematic        'Acetylene dicarboxylic acid dihydrate'
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yab'
_space_group_name_H-M_alt        'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 98.0(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.05(3)
_cell_length_b                   3.86(1)
_cell_length_c                   7.98(2)
_cod_data_source_file            035_acetylene_dicarboxylic_acid_dihydrate.cif
_cod_data_source_block           acetylene_dicarboxylic_acid_dihyrate
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-17

 Changing the atom site type symbol of the'H2O' atom from 'H2O' to 'O' and
 correcting a typo in the systematic chemical name.

 Antanas Vaitkus,
 2018-06-17

 Added the _citation_author_ordinal data item to the CITATION_AUTHOR loop
 and updated the _citation_author_name data item value.

 Antanas Vaitkus,
 2021-05-03
;
_cod_original_sg_symbol_H-M      'P 21/a'
_cod_database_code               5900035
The crystal and molecular structure of certain dicarboxylic acids. Part III. Diacetylenedicarboxylic acid dihydrate
Dunitz, J. D.; Robertson, J. Monteath; Journal of the Chemical Society  (1947) 1145–1156; doi:10.1039/JR9470001145

data_5900036
_publ_section_title
;
 The crystal and molecular structure of certain dicarboxylic acids.
 Part III. Diacetylenedicarboxylic acid dihydrate
;
_journal_name_full               'Journal of the Chemical Society'
_journal_page_first              1145
_journal_page_last               1156
_journal_paper_doi               10.1039/JR9470001145
_journal_year                    1947
_chemical_formula_sum            'C6 H6 O6'
_chemical_name_systematic        'Diacetylene dicarboxylic acid dihyrate'
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 107
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.15
_cell_length_b                   3.75
_cell_length_c                   20.18
_cod_data_source_file            036_diacetylene_dicarboxylic_acid_dihydrate.cif
_cod_data_source_block           diacetylene_dicarboxylic_acid_dihyrate
_cod_depositor_comments
;
 Added the _citation_author_ordinal data item to the CITATION_AUTHOR loop
 and updated the _citation_author_name data item value.

 Antanas Vaitkus,
 2021-05-03
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               5900036
The crystal structure of α-succinic acid
Rieck, G. D.; Recueil des Travaux Chimiques des Pays-Bas 63 (1944) 170–180; doi:10.1002/recl.19440630902

data_5900037
_publ_section_title
;
 The crystal structure of \a-succinic acid
;
_journal_issue                   9
_journal_name_full               'Recueil des Travaux Chimiques des Pays-Bas'
_journal_page_first              170
_journal_page_last               180
_journal_paper_doi               10.1002/recl.19440630902
_journal_volume                  63
_journal_year                    1944
_chemical_formula_sum            'C4 H6 O4'
_chemical_name_systematic        'Methylmalonic acid of form alpha'
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                106.17
_cell_angle_beta                 116
_cell_angle_gamma                83.33
_cell_formula_units_Z            2
_cell_length_a                   5.72
_cell_length_b                   6.85
_cell_length_c                   7.57
_diffrn_ambient_temperature      408
_cod_data_source_file            037_methylmalonic_acid_alpha.cif
_cod_data_source_block           methylmalonic_acid_alpha
_cod_depositor_comments
;
 Added the _citation_author_ordinal data item to the CITATION_AUTHOR loop
 and updated the _citation_author_name data item value.

 Antanas Vaitkus,
 2021-05-03
;
_cod_database_code               5900037
The crystal and molecular structure of certain dicarboxylic acids. Part IV. β-Succinic acid
Morrison, J. D.; Robertson, J. Monteath; Journal of the Chemical Society  (1949) 980–986; doi:10.1039/JR9490000980

data_5900038
_publ_section_title
;
 The crystal and molecular structure of certain dicarboxylic acids.
 Part IV. \b-Succinic acid
;
_journal_name_full               'Journal of the Chemical Society'
_journal_page_first              980
_journal_page_last               986
_journal_paper_doi               10.1039/JR9490000980
_journal_year                    1949
_chemical_formula_sum            'C4 H6 O4'
_chemical_name_systematic        'Methylmalonic acid of form beta'
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 133.10
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.10(1)
_cell_length_b                   8.88(3)
_cell_length_c                   7.61(2)
_diffrn_ambient_temperature      293
_cod_data_source_file            038_methylmalonic_acid_beta.cif
_cod_data_source_block           methylmalonic_acid_beta
_cod_depositor_comments
;
 Added the _citation_author_ordinal data item to the CITATION_AUTHOR loop
 and updated the _citation_author_name data item value.

 Antanas Vaitkus,
 2021-05-03
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               5900038
The crystal and molecular structure of certain dicarboxylic acids. Part V. Adipic acid
Morrison, J. D.; Robertson, J. Monteath; Journal of the Chemical Society  (1949) 987–992; doi:10.1039/JR9490000987

data_5900039
_publ_section_title
;
 The crystal and molecular structure of certain dicarboxylic acids.
 Part V. Adipic acid
;
_journal_name_full               'Journal of the Chemical Society'
_journal_page_first              987
_journal_page_last               992
_journal_paper_doi               10.1039/JR9490000987
_journal_year                    1949
_chemical_formula_sum            'C6 H10 O4'
_chemical_name_common            'Adipic acid'
_chemical_name_systematic        'Hexanedioic acid'
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 137.02
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.07(03)
_cell_length_b                   5.16(1)
_cell_length_c                   10.03(3)
_cod_data_source_file            039_hexanedioic_acid.cif
_cod_data_source_block           hexanedioic_acid
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               5900039
The crystal and molecular structure of certain dicarboxylic acids. Part VI. Sebacic acid
Morrison, J. D.; Robertson, J. Monteath; Journal of the Chemical Society  (1949) 993–1001; doi:10.1039/JR9490000993

data_5900040
_publ_section_title
;
 The crystal and molecular structure of certain dicarboxylic acids.
 Part VI. Sebacic acid
;
_journal_name_full               'Journal of the Chemical Society'
_journal_page_first              993
_journal_page_last               1001
_journal_paper_doi               10.1039/JR9490000993
_journal_year                    1949
_chemical_formula_sum            'C10 H18 O4'
_chemical_name_common            'Sebacic acid'
_chemical_name_systematic        'Decanedioic acid'
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yab'
_space_group_name_H-M_alt        'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 133.8(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.10(3)
_cell_length_b                   5.00(1)
_cell_length_c                   15.10(5)
_cod_data_source_file            040_decanedioic_acid.cif
_cod_data_source_block           decanedioic_acid
_cod_original_sg_symbol_H-M      'P 21/a'
_cod_database_code               5900040
Pages 55 & 61 from the second edition supplement of The Structure of Crystals by Wyckoff R W G. published by Reinhold Publishing Corporation, INC,Camden,N. J. in 1935
Wyckoff, R. W. G.; The second edition supplement of The Structure of Crystals  (1935) 55–61; doi:

data_5910000
_publ_section_title
;
Pages 55 & 61 from the second edition supplement of The Structure
of Crystals by Wyckoff R W G. published by Reinhold Publishing
Corporation, INC,Camden,N. J. in 1935
;
_journal_name_full
'The second edition supplement of The Structure of Crystals'
_journal_page_first              55
_journal_page_last               61
_journal_year                    1935
_chemical_formula_structural     MgTiO3
_chemical_formula_sum            'Mg O3 Ti'
_chemical_name_systematic        'Magnesium titanate'
_space_group_crystal_system      trigonal
_space_group_IT_number           148
_space_group_name_Hall           '-P 3*'
_space_group_name_H-M_alt        'R -3 :R'
_audit_creation_date             2005-06-11
_audit_creation_method
;
Pages 55 & 61 from the second edition supplement of The Structure
of Crystals by Wyckoff R W G. published by Reinhold Publishing
Corporation, INC,Camden,N. J. in 1935
;
_audit_update_record
'created by Girish Upreti, Portland State University'
_cell_angle_alpha                54.65
_cell_angle_beta                 54.65
_cell_angle_gamma                54.65
_cell_length_a                   5.54
_cell_length_b                   5.54
_cell_length_c                   5.54
_cell_volume                     104.499
_cod_depositor_comments
;
 Adding the symmetry operation list, removing symmetrically equivalent atoms,
 correcting the values of _cell_angle_alpha, _cell_angle_beta and
 _cell_angle_gamma data items by changing them from '54.39' to '54.65' after
 consulting the original publication.

 Antanas Vaitkus,
 2017-11-19
;
_cod_original_sg_symbol_H-M      'R -3'
_cod_original_formula_sum        'Mg Ti O3'
_cod_database_code               5910000
Page 38 from the second edition supplement of The Structure of Crystals by Wyckoff R W G. published by Reinhold PublishingCorporation, INC, Camden,N. J. in 1935 & http://database.iem.ac.ru/mincryst/
Wyckoff, R. W. G.; The second edition supplement of The Structure of Crystals  (1935) 38–38; doi:

data_5910001
_publ_section_title
;
Page 38 from the second edition supplement of The Structure of Crystals by 
Wyckoff R W G. published by Reinhold PublishingCorporation, INC, Camden,N. J.
in 1935 & http://database.iem.ac.ru/mincryst/
;
_journal_name_full
'The second edition supplement of The Structure of Crystals'
_journal_page_first              38
_journal_page_last               38
_journal_year                    1935
_chemical_formula_structural     Fe3C
_chemical_formula_sum            'C Fe3'
_chemical_name_systematic        cohenite
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_H-M   'P b n m'
_audit_creation_date             2005-10-12
_audit_creation_method
;
Page 38 from the second edition supplement of The Structure of Crystals by 
Wyckoff R W G. published by Reinhold PublishingCorporation, INC, Camden,N. J.
in 1935 & http://database.iem.ac.ru/mincryst/
;
_audit_update_record
'created by Girish Upreti, Portland State University'
_cell_angle_alpha                52.30
_cell_angle_beta                 52.30
_cell_angle_gamma                52.30
_cell_length_a                   4.626
_cell_length_b                   5.107
_cell_length_c                   6.633
_cell_volume                     90.765
_cod_original_formula_sum        'Fe3 C'
_cod_database_code               5910001
Pages 110 & 111 from the Structure of Crystals, vol. 4 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951
Wyckoff, R. W. G.; The Structure of Crystals 4 (1951) 110–111; doi:

data_5910002
_publ_section_title
;
Pages 110 & 111 from the Structure of Crystals, vol. 4 by Wyckoff R W G. 
published by Interscience Publishers, Inc. in 1951 
;
_journal_name_full               'The Structure of Crystals'
_journal_page_first              110
_journal_page_last               111
_journal_volume                  4
_journal_year                    1951
_chemical_formula_structural     SbCl5S4N4
_chemical_formula_sum            'Cl5 N4 S4 Sb'
_chemical_name_systematic        'antimony pentachloride-tetrasulfotetrimide'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_date             2006-01-11
_audit_creation_method
;
Pages 110 & 111 from the Structure of Crystals, vol. 4 by Wyckoff R W G. 
published by Interscience Publishers, Inc. in 1951 
;
_audit_update_record
'created by Girish Upreti, Portland State University'
_cell_angle_alpha                90
_cell_angle_beta                 108.40
_cell_angle_gamma                90
_cell_length_a                   7.01
_cell_length_b                   12.6
_cell_length_c                   15.6
_cell_volume                     1307.443
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'Sb Cl5 S4 N4'
_cod_database_code               5910002
Pages 233 & 239 from the second edition of Structure of Crystals by Wyckoff R W G. Published by The Chemical Catalog Company, INC, New York in 1931.
Wyckoff, R. W. G.; The second edition of Structure of Crystals  (1931) 233–239; doi:

data_5910003
_publ_section_title
;
Pages 233 & 239 from the second edition of Structure of Crystals by Wyckoff
R W G. Published by The Chemical Catalog Company, INC, New York in 1931.
;
_journal_name_full               'The second edition of Structure of Crystals'
_journal_page_first              233
_journal_page_last               239
_journal_year                    1931
_chemical_formula_structural     WS2
_chemical_formula_sum            'S2 W'
_chemical_name_systematic        'Tungsten disulphide'
_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'
_audit_creation_date             2005-03-11
_audit_creation_method
;
Pages 233 & 239 from the second edition of Structure of Crystals by Wyckoff
R W G. Published by The Chemical Catalog Company, INC, New York in 1931.
;
_audit_update_record
'created by Girish Upreti, Portland State University'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   3.18
_cell_length_b                   3.18
_cell_length_c                   12.5
_cell_volume                     109.470
_cod_original_sg_symbol_H-M      'P63/m m c'
_cod_original_formula_sum        'W S2'
_cod_database_code               5910003
Page 260 from the second edition of Structure of Crystals by Wyckoff published by The Chemical Catalog Company, INC, New York in 1931 & http://cimesg1.epfl.ch/CIOLS/crystal2.pl
Wyckoff, R. W. G.; The second edition of Structure of Crystals  (1931) 260–260; doi:

data_5910004
_publ_section_title
;
Page 260 from the second edition of Structure of Crystals by Wyckoff  
published by The Chemical Catalog Company, INC, New York in 1931 
& http://cimesg1.epfl.ch/CIOLS/crystal2.pl
;
_journal_name_full               'The second edition of Structure of Crystals'
_journal_page_first              260
_journal_page_last               260
_journal_year                    1931
_chemical_formula_structural     Cu2MnSn
_chemical_formula_sum            'Cu2 Mn Sn'
_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'
_audit_creation_date             2005-28-12
_audit_creation_method
;
Page 260 from the second edition of Structure of Crystals by Wyckoff  
published by The Chemical Catalog Company, INC, New York in 1931 
& http://cimesg1.epfl.ch/CIOLS/crystal2.pl
;
_audit_update_record
'created by Girish Upreti, Portland State University'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.16
_cell_length_b                   6.16
_cell_length_c                   6.16
_cell_volume                     233.745
_cod_database_code               5910004
http://jcrystal.com/steffenweber/gallery/StructureTypes/st4.html & page 64 from the second edition supplement of The Structure of Crystals by Wyckoff R W G. published by Reinhold Publishing Corporation, INC,Camden,N. J. in 1935
Wyckoff, R. W. G.; The second edition supplement of The Structure of Crystals  (1935) 64–64; doi:

data_5910005
_publ_section_title
;
http://jcrystal.com/steffenweber/gallery/StructureTypes/st4.html
& page 64 from the second edition supplement of The Structure
of Crystals by Wyckoff R W G. published by Reinhold Publishing
Corporation, INC,Camden,N. J. in 1935
;
_journal_name_full
'The second edition supplement of The Structure of Crystals'
_journal_page_first              64
_journal_page_last               64
_journal_year                    1935
_chemical_formula_structural     CdFe2O4
_chemical_formula_sum            'Cd Fe2 O4'
_chemical_name_systematic        CdFe2O4
_space_group_IT_number           227
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_audit_creation_date             2005-06-11
_audit_creation_method
;
http://jcrystal.com/steffenweber/gallery/StructureTypes/st4.html
& page 64 from the second edition supplement of The Structure
of Crystals by Wyckoff R W G. published by Reinhold Publishing
Corporation, INC,Camden,N. J. in 1935
;
_audit_update_record
'created by Girish Upreti, Portland State University'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.45
_cell_length_b                   8.45
_cell_length_c                   8.45
_cell_volume                     603.351
_cod_original_sg_symbol_H-M      'F d -3 m'
_cod_database_code               5910005
; The second edition of Structure of Crystals  () 232–239; doi:

data_5910006
_journal_name_full               'The second edition of Structure of Crystals'
_journal_page_first              232
_journal_page_last               239
_chemical_formula_structural     ZrS2
_chemical_formula_sum            'S2 Zr'
_chemical_name_systematic        'Zirconium disulphide'
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_H-M   'P -3 m 1'
_audit_creation_date             2005-03-11
_audit_creation_method
;
Pages 232 & 239 from the second edition of Structure of Crystals by RWG Wyckoff
and http://physics.syr.edu/courses/vrml
;
_audit_update_record
'created by Girish Upreti, Portland State University'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   3.63
_cell_length_b                   3.63
_cell_length_c                   5.85
_cell_volume                     66.757
_cod_original_sg_symbol_H-M      'P a -3 m 1'
_cod_original_formula_sum        'Zr S2'
_cod_database_code               5910006
Crystal structure of lead(II) nitrate
Wyckoff, R. W. G.; Crystals structures, Vol. II  (1951) –; doi:

data_5910007
_publ_section_title
;
 Crystal structure of lead(II) nitrate
;
_journal_name_full               'Crystals structures, Vol. II'
_journal_year                    1951
_chemical_formula_structural     Pb(NO3)2
_chemical_formula_sum            'N2 O6 Pb'
_chemical_name_systematic        'lead(II) nitrate'
_space_group_crystal_system      cubic
_space_group_IT_number           205
_space_group_name_Hall           '-P 2ac 2ab 3'
_space_group_name_H-M_alt        'P a -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.84
_cell_length_b                   7.84
_cell_length_c                   7.84
_cell_volume                     481.890
_cod_depositor_comments
;
 Removing symmetrically equivalent atoms and updating the atomic coordinates
 after consulting the later works of R. W. G. Wyckoff ("Crystal structures"
 Vol. II, published by Interscience Publishers, Inc., New York, 1951). The
 lattice parameters were taken from Chapter VII, text page 22 and the atomic
 coordinates were taken from Chapter VII, table page 25.

 Antanas Vaitkus,
 2018-01-14
;
_cod_original_formula_sum        'Pb N2 O6'
_cod_database_code               5910007