LMucko/crystallography-open-database huggingface dataset:
Space group <i>Cc</i>: an update
Marsh, Richard E.; Acta Crystallographica Section B 60 (2004) 252–253; doi:10.1107/S0108768104003878

data_2102421
_publ_section_title
;
 Space group <i>Cc</i>: an update
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              252
_journal_page_last               253
_journal_paper_doi               10.1107/S0108768104003878
_journal_volume                  60
_journal_year                    2004
_chemical_formula_moiety         'C20 H22 N2 Au, B F4'
_chemical_formula_sum            'C20 H22 Au B F4 N2'
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_audit_creation_method           CRYM
_cell_angle_alpha                90
_cell_angle_beta                 104.07
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.5380
_cell_length_b                   11.0950
_cell_length_c                   14.8640
_cell_volume                     2005.685
_cod_data_source_file            bk0142.cif
_cod_data_source_block           RIZVIF
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-14

 Adding the _cell_formula_units_Z data item.

 Antanas Vaitkus,
 2017-08-05

  Added moiety chemical formula from Marsh (2004) paper.
  The summary chemical formula is calculated from moiety formula using
  AdHocParser
  (svn://www.crystallography.net/cod-tools/trunk/Formulae/AdHocParser.yp,
  revision 1441.)

  Andrius Merkys
  2013-11-11
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               2102421
Space group <i>Cc</i>: an update
Marsh, Richard E.; Acta Crystallographica Section B 60 (2004) 252–253; doi:10.1107/S0108768104003878

data_2102422
_publ_section_title
;
 Space group <i>Cc</i>: an update
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              252
_journal_page_last               253
_journal_paper_doi               10.1107/S0108768104003878
_journal_volume                  60
_journal_year                    2004
_chemical_formula_moiety         'C22 H33 N Cl2 Ru'
_chemical_formula_sum            'C22 H33 Cl2 N Ru'
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_audit_creation_method           CRYM
_cell_angle_alpha                90
_cell_angle_beta                 98.47
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   19.8650
_cell_length_b                   6.9300
_cell_length_c                   33.5700
_cell_volume                     4570.991
_cod_data_source_file            bk0142.cif
_cod_data_source_block           ROMKEJ
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-14

 Adding the _cell_formula_units_Z data item.

 Antanas Vaitkus,
 2017-08-05

  Added moiety chemical formula from Marsh (2004) paper.
  The summary chemical formula is calculated from moiety formula using
  AdHocParser
  (svn://www.crystallography.net/cod-tools/trunk/Formulae/AdHocParser.yp,
  revision 1441.)

  Andrius Merkys
  2013-11-11
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               2102422
Space group <i>Cc</i>: an update
Marsh, Richard E.; Acta Crystallographica Section B 60 (2004) 252–253; doi:10.1107/S0108768104003878

data_2102423
_publ_section_title
;
 Space group <i>Cc</i>: an update
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              252
_journal_page_last               253
_journal_paper_doi               10.1107/S0108768104003878
_journal_volume                  60
_journal_year                    2004
_chemical_formula_moiety         'C18 H42 N8 Mn, 2(Cl O4)'
_chemical_formula_sum            'C18 H42 Cl2 Mn N8 O8'
_space_group_crystal_system      trigonal
_space_group_IT_number           163
_symmetry_space_group_name_H-M   'P -3 1 c'
_audit_creation_method           CRYM
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   9.5970
_cell_length_b                   9.5970
_cell_length_c                   17.0290
_cell_volume                     1358.285
_cod_data_source_file            bk0142.cif
_cod_data_source_block           ROMTIW
_cod_depositor_comments
;
 Adding the _cell_formula_units_Z data item.

 Antanas Vaitkus,
 2017-08-05

  Added moiety chemical formula from Marsh (2004) paper.
  The summary chemical formula is calculated from moiety formula using
  AdHocParser
  (svn://www.crystallography.net/cod-tools/trunk/Formulae/AdHocParser.yp,
  revision 1441.)

  Andrius Merkys
  2013-11-11
;
_cod_original_sg_symbol_H-M      P-31c
_cod_database_code               2102423
Space group <i>Cc</i>: an update
Marsh, Richard E.; Acta Crystallographica Section B 60 (2004) 252–253; doi:10.1107/S0108768104003878

data_2102424
_publ_section_title
;
 Space group <i>Cc</i>: an update
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              252
_journal_page_last               253
_journal_paper_doi               10.1107/S0108768104003878
_journal_volume                  60
_journal_year                    2004
_chemical_formula_moiety         'C32 H30 N4 Cu, 2(Cl O4), 0.25(C2 H3 N)'
_chemical_formula_sum            'C32.5 H30.75 Cl2 Cu N4.25 O8'
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_audit_creation_method           CRYM
_cell_angle_alpha                90
_cell_angle_beta                 102.52
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   28.3580
_cell_length_b                   15.1050
_cell_length_c                   15.8220
_cell_volume                     6616.154
_cod_data_source_file            bk0142.cif
_cod_data_source_block           RUQMOF
_cod_depositor_comments
;
 Adding the _cell_formula_units_Z data item.

 Antanas Vaitkus,
 2017-08-05

  Added moiety chemical formula from Marsh (2004) paper.
  The summary chemical formula is calculated from moiety formula using
  AdHocParser
  (svn://www.crystallography.net/cod-tools/trunk/Formulae/AdHocParser.yp,
  revision 1441.)

  Andrius Merkys
  2013-11-11
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               2102424
Space group <i>Cc</i>: an update
Marsh, Richard E.; Acta Crystallographica Section B 60 (2004) 252–253; doi:10.1107/S0108768104003878

data_2102425
_publ_section_title
;
 Space group <i>Cc</i>: an update
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              252
_journal_page_last               253
_journal_paper_doi               10.1107/S0108768104003878
_journal_volume                  60
_journal_year                    2004
_chemical_formula_moiety         'C41 H54 S3 Ir2, 4(C F3 O3 S), C3 H7 N O'
_chemical_formula_sum            'C48 H61 F12 Ir2 N O13 S7'
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_audit_creation_method           CRYM
_cell_angle_alpha                90
_cell_angle_beta                 106.16
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   20.6686
_cell_length_b                   17.4490
_cell_length_c                   17.0768
_cell_volume                     5915.346
_cod_data_source_file            bk0142.cif
_cod_data_source_block           SALPOK
_cod_depositor_comments
;
 Adding the _cell_formula_units_Z data item.

 Antanas Vaitkus,
 2017-08-05

  Added moiety chemical formula from Marsh (2004) paper.
  The summary chemical formula is calculated from moiety formula using
  AdHocParser
  (svn://www.crystallography.net/cod-tools/trunk/Formulae/AdHocParser.yp,
  revision 1441.)

  Andrius Merkys
  2013-11-11
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               2102425
Space group <i>Cc</i>: an update
Marsh, Richard E.; Acta Crystallographica Section B 60 (2004) 252–253; doi:10.1107/S0108768104003878

data_2102426
_publ_section_title
;
 Space group <i>Cc</i>: an update
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              252
_journal_page_last               253
_journal_paper_doi               10.1107/S0108768104003878
_journal_volume                  60
_journal_year                    2004
_chemical_formula_moiety         'C22 H30 N6 O2 Ni, 2(N O3), 2(H2 O)'
_chemical_formula_sum            'C22 H34 N8 Ni O10'
_space_group_crystal_system      orthorhombic
_space_group_IT_number           43
_symmetry_space_group_name_H-M   'F d d 2'
_audit_creation_method           CRYM
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   18.7020
_cell_length_b                   36.3170
_cell_length_c                   8.5020
_cell_volume                     5774.563
_cod_data_source_file            bk0142.cif
_cod_data_source_block           SEMWIQ
_cod_depositor_comments
;
 Adding the _cell_formula_units_Z data item.

 Antanas Vaitkus,
 2017-08-05

 Marking attached hydrogen comments.

 Antanas Vaitkus,
 2017-03-25

  Added moiety chemical formula from Marsh (2004) paper.
  The summary chemical formula is calculated from moiety formula using
  AdHocParser
  (svn://www.crystallography.net/cod-tools/trunk/Formulae/AdHocParser.yp,
  revision 1441.)

  Andrius Merkys
  2013-11-11
;
_cod_original_sg_symbol_H-M      Fdd2
_cod_database_code               2102426
Space group <i>Cc</i>: an update
Marsh, Richard E.; Acta Crystallographica Section B 60 (2004) 252–253; doi:10.1107/S0108768104003878

data_2102427
_publ_section_title
;
 Space group <i>Cc</i>: an update
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              252
_journal_page_last               253
_journal_paper_doi               10.1107/S0108768104003878
_journal_volume                  60
_journal_year                    2004
_chemical_formula_moiety         'C26 H48 N2 Cl2 Si2 Ti'
_chemical_formula_sum            'C26 H48 Cl2 N2 Si2 Ti'
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_audit_creation_method           CRYM
_cell_angle_alpha                90
_cell_angle_beta                 94.28
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.4450
_cell_length_b                   8.1602
_cell_length_c                   20.7620
_cell_volume                     2947.326
_cod_data_source_file            bk0142.cif
_cod_data_source_block           SUWZIT
_cod_depositor_comments
;
 Adding the _cell_formula_units_Z data item.

 Antanas Vaitkus,
 2017-08-05

  Added moiety chemical formula from Marsh (2004) paper.
  The summary chemical formula is calculated from moiety formula using
  AdHocParser
  (svn://www.crystallography.net/cod-tools/trunk/Formulae/AdHocParser.yp,
  revision 1441.)

  Andrius Merkys
  2013-11-11
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               2102427
Space group <i>Cc</i>: an update
Marsh, Richard E.; Acta Crystallographica Section B 60 (2004) 252–253; doi:10.1107/S0108768104003878

data_2102428
_publ_section_title
;
 Space group <i>Cc</i>: an update
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              252
_journal_page_last               253
_journal_paper_doi               10.1107/S0108768104003878
_journal_volume                  60
_journal_year                    2004
_chemical_formula_moiety         'C14 H26 N4 Cl2 Sn'
_chemical_formula_sum            'C14 H26 Cl2 N4 Sn'
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_audit_creation_method           CRYM
_cell_angle_alpha                90
_cell_angle_beta                 93.01
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.7550
_cell_length_b                   11.1690
_cell_length_c                   11.7230
_cell_volume                     1929.269
_cod_data_source_file            bk0142.cif
_cod_data_source_block           TAZDED
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-14

 Adding the _cell_formula_units_Z data item.

 Antanas Vaitkus,
 2017-08-05

 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2017-03-27

  Added moiety chemical formula from Marsh (2004) paper.
  The summary chemical formula is calculated from moiety formula using
  AdHocParser
  (svn://www.crystallography.net/cod-tools/trunk/Formulae/AdHocParser.yp,
  revision 1441.)

  Andrius Merkys
  2013-11-11
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               2102428
Space group <i>Cc</i>: an update
Marsh, Richard E.; Acta Crystallographica Section B 60 (2004) 252–253; doi:10.1107/S0108768104003878

data_2102429
_publ_section_title
;
 Space group <i>Cc</i>: an update
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              252
_journal_page_last               253
_journal_paper_doi               10.1107/S0108768104003878
_journal_volume                  60
_journal_year                    2004
_chemical_formula_moiety         'C28 H26 O3 S Si'
_chemical_formula_sum            'C28 H26 O3 S Si'
_space_group_crystal_system      orthorhombic
_space_group_IT_number           43
_symmetry_space_group_name_H-M   'F d d 2'
_audit_creation_method           CRYM
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   9.3030
_cell_length_b                   67.3160
_cell_length_c                   15.6070
_cell_volume                     9773.739
_cod_data_source_file            bk0142.cif
_cod_data_source_block           TOMKUB
_cod_depositor_comments
;
 Adding the _cell_formula_units_Z data item.

 Antanas Vaitkus,
 2017-08-05

  Added moiety chemical formula from Marsh (2004) paper.
  The summary chemical formula is calculated from moiety formula using
  AdHocParser
  (svn://www.crystallography.net/cod-tools/trunk/Formulae/AdHocParser.yp,
  revision 1441.)

  Andrius Merkys
  2013-11-11
;
_cod_original_sg_symbol_H-M      Fdd2
_cod_database_code               2102429
Space group <i>Cc</i>: an update
Marsh, Richard E.; Acta Crystallographica Section B 60 (2004) 252–253; doi:10.1107/S0108768104003878

data_2102430
_publ_section_title
;
 Space group <i>Cc</i>: an update
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              252
_journal_page_last               253
_journal_paper_doi               10.1107/S0108768104003878
_journal_volume                  60
_journal_year                    2004
_chemical_formula_moiety         'C18 H14 O8 Zn, 2(H2 O)'
_chemical_formula_sum            'C18 H18 O10 Zn'
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_audit_creation_method           CRYM
_cell_angle_alpha                90
_cell_angle_beta                 108.02
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   25.3450
_cell_length_b                   7.2010
_cell_length_c                   11.1370
_cell_volume                     1932.904
_cod_data_source_file            bk0142.cif
_cod_data_source_block           TORQUM
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-14

 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2017-11-30

 Adding the _cell_formula_units_Z data item.

 Antanas Vaitkus,
 2017-08-05

  Added moiety chemical formula from Marsh (2004) paper.
  The summary chemical formula is calculated from moiety formula using
  AdHocParser
  (svn://www.crystallography.net/cod-tools/trunk/Formulae/AdHocParser.yp,
  revision 1441.)

  Andrius Merkys
  2013-11-11
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               2102430
Space group <i>Cc</i>: an update
Marsh, Richard E.; Acta Crystallographica Section B 60 (2004) 252–253; doi:10.1107/S0108768104003878

data_2102431
_publ_section_title
;
 Space group <i>Cc</i>: an update
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              252
_journal_page_last               253
_journal_paper_doi               10.1107/S0108768104003878
_journal_volume                  60
_journal_year                    2004
_chemical_formula_moiety         'C7 H6 N4'
_chemical_formula_sum            'C7 H6 N4'
_space_group_crystal_system      orthorhombic
_space_group_IT_number           40
_symmetry_space_group_name_H-M   'A m a 2'
_audit_creation_method           CRYM
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.8070
_cell_length_b                   15.2320
_cell_length_c                   4.5400
_cell_volume                     678.186
_cod_data_source_file            bk0142.cif
_cod_data_source_block           TOSJOA
_cod_depositor_comments
;
 Adding the _cell_formula_units_Z data item.

 Antanas Vaitkus,
 2017-08-05

  Added moiety chemical formula from Marsh (2004) paper.
  The summary chemical formula is calculated from moiety formula using
  AdHocParser
  (svn://www.crystallography.net/cod-tools/trunk/Formulae/AdHocParser.yp,
  revision 1441.)

  Andrius Merkys
  2013-11-11
;
_cod_original_sg_symbol_H-M      Ama2
_cod_database_code               2102431
Space group <i>Cc</i>: an update
Marsh, Richard E.; Acta Crystallographica Section B 60 (2004) 252–253; doi:10.1107/S0108768104003878

data_2102432
_publ_section_title
;
 Space group <i>Cc</i>: an update
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              252
_journal_page_last               253
_journal_paper_doi               10.1107/S0108768104003878
_journal_volume                  60
_journal_year                    2004
_chemical_formula_moiety         'C63 H72 O12'
_chemical_formula_sum            'C63 H72 O12'
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_audit_creation_method           CRYM
_cell_angle_alpha                90
_cell_angle_beta                 90.61
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.9500
_cell_length_b                   19.5980
_cell_length_c                   18.5340
_cell_volume                     5793.180
_cod_data_source_file            bk0142.cif
_cod_data_source_block           TUHDAB
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-14

 Adding the _cell_formula_units_Z data item.

 Antanas Vaitkus,
 2017-08-05

  Added moiety chemical formula from Marsh (2004) paper.
  The summary chemical formula is calculated from moiety formula using
  AdHocParser
  (svn://www.crystallography.net/cod-tools/trunk/Formulae/AdHocParser.yp,
  revision 1441.)

  Andrius Merkys
  2013-11-11
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               2102432
Space group <i>Cc</i>: an update
Marsh, Richard E.; Acta Crystallographica Section B 60 (2004) 252–253; doi:10.1107/S0108768104003878

data_2102433
_publ_section_title
;
 Space group <i>Cc</i>: an update
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              252
_journal_page_last               253
_journal_paper_doi               10.1107/S0108768104003878
_journal_volume                  60
_journal_year                    2004
_chemical_formula_moiety         'C22 H32 Cl2 Zr'
_chemical_formula_sum            'C22 H32 Cl2 Zr'
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_audit_creation_method           CRYM
_cell_angle_alpha                90
_cell_angle_beta                 94.83
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.3090
_cell_length_b                   9.5910
_cell_length_c                   16.4490
_cell_volume                     2092.203
_cod_data_source_file            bk0142.cif
_cod_data_source_block           TUPHER
_cod_depositor_comments
;
 Adding the _cell_formula_units_Z data item.

 Antanas Vaitkus,
 2017-08-05

  Added moiety chemical formula from Marsh (2004) paper.
  The summary chemical formula is calculated from moiety formula using
  AdHocParser
  (svn://www.crystallography.net/cod-tools/trunk/Formulae/AdHocParser.yp,
  revision 1441.)

  Andrius Merkys
  2013-11-11
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               2102433
Space group <i>Cc</i>: an update
Marsh, Richard E.; Acta Crystallographica Section B 60 (2004) 252–253; doi:10.1107/S0108768104003878

data_2102434
_publ_section_title
;
 Space group <i>Cc</i>: an update
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              252
_journal_page_last               253
_journal_paper_doi               10.1107/S0108768104003878
_journal_volume                  60
_journal_year                    2004
_chemical_formula_moiety         'C32 H28 N10 O4 S4 Cu, 2(C H3 O H)'
_chemical_formula_sum            'C34 H36 Cu N10 O6 S4'
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_audit_creation_method           CRYM
_cell_angle_alpha                90
_cell_angle_beta                 97.28
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   18.8290
_cell_length_b                   12.2060
_cell_length_c                   17.2330
_cell_volume                     3928.677
_cod_data_source_file            bk0142.cif
_cod_data_source_block           VADMET
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-14

 Adding the _cell_formula_units_Z data item.

 Antanas Vaitkus,
 2017-08-05

 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2017-03-27

  Added moiety chemical formula from Marsh (2004) paper.
  The summary chemical formula is calculated from moiety formula using
  AdHocParser
  (svn://www.crystallography.net/cod-tools/trunk/Formulae/AdHocParser.yp,
  revision 1441.)

  Andrius Merkys
  2013-11-11
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               2102434