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_2102312
_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 H8 O5'
_chemical_formula_sum            'C7 H8 O5'
_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                 109.15
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.3880
_cell_length_b                   15.5940
_cell_length_c                   7.8740
_cell_volume                     740.960
_cod_data_source_file            bk0142.cif
_cod_data_source_block           BAGQIJ
_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               2102312
Space group <i>Cc</i>: an update
Marsh, Richard E.; Acta Crystallographica Section B 60 (2004) 252–253; doi:10.1107/S0108768104003878

data_2102313
_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         'C33 H27 N9 Re, O4 Re'
_chemical_formula_sum            'C33 H27 N9 O4 Re2'
_space_group_crystal_system      trigonal
_space_group_IT_number           159
_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                   12.8780
_cell_length_b                   12.8780
_cell_length_c                   10.9380
_cell_volume                     1570.961
_cod_data_source_file            bk0142.cif
_cod_data_source_block           BAMYEU
_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      P31c
_cod_database_code               2102313
Space group <i>Cc</i>: an update
Marsh, Richard E.; Acta Crystallographica Section B 60 (2004) 252–253; doi:10.1107/S0108768104003878

data_2102314
_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         'C12 H14 N2 S6 Zn'
_chemical_formula_sum            'C12 H14 N2 S6 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                 94.60
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.5100
_cell_length_b                   17.2950
_cell_length_c                   13.6850
_cell_volume                     1771.757
_cod_data_source_file            bk0142.cif
_cod_data_source_block           BETMES01
_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               2102314
Space group <i>Cc</i>: an update
Marsh, Richard E.; Acta Crystallographica Section B 60 (2004) 252–253; doi:10.1107/S0108768104003878

data_2102315
_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 H18 N6 Cu, 2(B F4)'
_chemical_formula_sum            'C20 H18 B2 Cu F8 N6'
_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                 103.35
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.2780
_cell_length_b                   12.7500
_cell_length_c                   19.5881
_cell_volume                     2254.549
_cod_data_source_file            bk0142.cif
_cod_data_source_block           BIPNAP
_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               2102315
Space group <i>Cc</i>: an update
Marsh, Richard E.; Acta Crystallographica Section B 60 (2004) 252–253; doi:10.1107/S0108768104003878

data_2102316
_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         'C27 H54 N2 O2'
_chemical_formula_sum            'C27 H54 N2 O2'
_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                 90.06
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.3740
_cell_length_b                   8.3960
_cell_length_c                   61.9900
_cell_volume                     2796.994
_cod_data_source_file            bk0142.cif
_cod_data_source_block           CADPON
_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               2102316
Space group <i>Cc</i>: an update
Marsh, Richard E.; Acta Crystallographica Section B 60 (2004) 252–253; doi:10.1107/S0108768104003878

data_2102317
_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         '2(C4 H12 N), C4 H4 O15 Mo2'
_chemical_formula_sum            'C12 H28 Mo2 N2 O15'
_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                 102.89
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   34.7700
_cell_length_b                   11.1900
_cell_length_c                   11.5440
_cell_volume                     4378.312
_cod_data_source_file            bk0142.cif
_cod_data_source_block           CAYNOF
_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               2102317
Space group <i>Cc</i>: an update
Marsh, Richard E.; Acta Crystallographica Section B 60 (2004) 252–253; doi:10.1107/S0108768104003878

data_2102318
_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         'C19 H42 O Cl2 P2 Ru'
_chemical_formula_sum            'C19 H42 Cl2 O P2 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                 119.75
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   21.8670
_cell_length_b                   8.6480
_cell_length_c                   15.0330
_cell_volume                     2468.140
_cod_data_source_file            bk0142.cif
_cod_data_source_block           CEPQAP
_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               2102318
Space group <i>Cc</i>: an update
Marsh, Richard E.; Acta Crystallographica Section B 60 (2004) 252–253; doi:10.1107/S0108768104003878

data_2102319
_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 H48 O6 Li3 Lu'
_chemical_formula_sum            'C18 H48 Li3 Lu O6'
_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                 94.08
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.9000
_cell_length_b                   10.8300
_cell_length_c                   18.3900
_cell_volume                     2761.359
_cod_data_source_file            bk0142.cif
_cod_data_source_block           CERTUO
_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               2102319
Space group <i>Cc</i>: an update
Marsh, Richard E.; Acta Crystallographica Section B 60 (2004) 252–253; doi:10.1107/S0108768104003878

data_2102320
_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 H14 N2, P F6'
_chemical_formula_sum            'C14 H14 F6 N2 P'
_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                 121.32
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.5440
_cell_length_b                   6.3200
_cell_length_c                   18.5420
_cell_volume                     1455.984
_cod_data_source_file            bk0142.cif
_cod_data_source_block           CIBHIE
_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               2102320
Space group <i>Cc</i>: an update
Marsh, Richard E.; Acta Crystallographica Section B 60 (2004) 252–253; doi:10.1107/S0108768104003878

data_2102321
_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 H46 N4 O4, I2, 1.5(H2 O)'
_chemical_formula_sum            'C22 H49 I2 N4 O5.5'
_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                 128.27
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   21.6560
_cell_length_b                   8.4100
_cell_length_c                   21.0780
_cell_volume                     3013.901
_cod_data_source_file            bk0142.cif
_cod_data_source_block           CIFHII
_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               2102321
Space group <i>Cc</i>: an update
Marsh, Richard E.; Acta Crystallographica Section B 60 (2004) 252–253; doi:10.1107/S0108768104003878

data_2102322
_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         'C24 H30 Si3'
_chemical_formula_sum            'C24 H30 Si3'
_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                 114.39
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   30.1340
_cell_length_b                   9.8060
_cell_length_c                   17.3400
_cell_volume                     4666.590
_cod_data_source_file            bk0142.cif
_cod_data_source_block           CIWSEG
_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               2102322
Space group <i>Cc</i>: an update
Marsh, Richard E.; Acta Crystallographica Section B 60 (2004) 252–253; doi:10.1107/S0108768104003878

data_2102323
_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         'C24 H48'
_chemical_formula_sum            'C24 H48'
_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                 99.42
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   27.6450
_cell_length_b                   8.0300
_cell_length_c                   10.1670
_cell_volume                     2226.531
_cod_data_source_file            bk0142.cif
_cod_data_source_block           CTETEC
_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               2102323
Space group <i>Cc</i>: an update
Marsh, Richard E.; Acta Crystallographica Section B 60 (2004) 252–253; doi:10.1107/S0108768104003878

data_2102324
_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         'C10 H10 Co, C8 H7 O8'
_chemical_formula_sum            'C18 H17 Co 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                 114.35
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.9900
_cell_length_b                   11.6230
_cell_length_c                   11.9600
_cell_volume                     1771.766
_cod_data_source_file            bk0142.cif
_cod_data_source_block           DIMHEM
_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               2102324
Space group <i>Cc</i>: an update
Marsh, Richard E.; Acta Crystallographica Section B 60 (2004) 252–253; doi:10.1107/S0108768104003878

data_2102325
_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         'C12 H25 N2 O2 S Br Si2'
_chemical_formula_sum            'C12 H25 Br N2 O2 S Si2'
_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                 98.95
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   29.4720
_cell_length_b                   10.7810
_cell_length_c                   12.1200
_cell_volume                     3804.092
_cod_data_source_file            bk0142.cif
_cod_data_source_block           EBAQUT
_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               2102325