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_2102366
_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         'C3 H12 N2, 2(H2 P O4)'
_chemical_formula_sum            'C3 H16 N2 O8 P2'
_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                 129.14
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   18.5430
_cell_length_b                   4.5610
_cell_length_c                   15.3420
_cell_volume                     1006.383
_cod_data_source_file            bk0142.cif
_cod_data_source_block           KOKBER
_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               2102366
Space group <i>Cc</i>: an update
Marsh, Richard E.; Acta Crystallographica Section B 60 (2004) 252–253; doi:10.1107/S0108768104003878

data_2102367
_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 H14 N4 O6 S2 Cu'
_chemical_formula_sum            'C22 H14 Cu N4 O6 S2'
_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                 106.91
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.8300
_cell_length_b                   11.9160
_cell_length_c                   14.9450
_cell_volume                     2356.421
_cod_data_source_file            bk0142.cif
_cod_data_source_block           LAGQEP
_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               2102367
Space group <i>Cc</i>: an update
Marsh, Richard E.; Acta Crystallographica Section B 60 (2004) 252–253; doi:10.1107/S0108768104003878

data_2102368
_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         '3(C H4 N2 O), Li2, S O4'
_chemical_formula_sum            'C3 H12 Li2 N6 O7 S'
_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                 112.30
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.3260
_cell_length_b                   9.2600
_cell_length_c                   7.9590
_cell_volume                     1181.430
_cod_data_source_file            bk0142.cif
_cod_data_source_block           LISUUR
_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               2102368
Space group <i>Cc</i>: an update
Marsh, Richard E.; Acta Crystallographica Section B 60 (2004) 252–253; doi:10.1107/S0108768104003878

data_2102369
_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(C36 H30 N P2), C32 O30 Pd2 Ru12, 2(C H2 Cl2)'
_chemical_formula_sum            'C106 H64 Cl4 N2 O30 P4 Pd2 Ru12'
_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                 123.59
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   38.2710
_cell_length_b                   9.9730
_cell_length_c                   36.0930
_cell_volume                     11475.534
_cod_data_source_file            bk0142.cif
_cod_data_source_block           LISVIS
_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               2102369
Space group <i>Cc</i>: an update
Marsh, Richard E.; Acta Crystallographica Section B 60 (2004) 252–253; doi:10.1107/S0108768104003878

data_2102370
_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(C36 H30 N P2), C34 O32 Pd4 Ru12'
_chemical_formula_sum            'C106 H60 N2 O32 P4 Pd4 Ru12'
_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                   31.3430
_cell_length_b                   29.9690
_cell_length_c                   23.9790
_cell_volume                     22523.915
_cod_data_source_file            bk0142.cif
_cod_data_source_block           LISVOY
_cod_depositor_comments
;
  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               2102370
Space group <i>Cc</i>: an update
Marsh, Richard E.; Acta Crystallographica Section B 60 (2004) 252–253; doi:10.1107/S0108768104003878

data_2102371
_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 H12 N6 O6 Mg, H2 O'
_chemical_formula_sum            'C10 H14 Mg N6 O7'
_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                   8.2860
_cell_length_b                   29.4980
_cell_length_c                   12.2250
_cell_volume                     2988.040
_cod_data_source_file            bk0142.cif
_cod_data_source_block           LIWJUW
_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               2102371
Space group <i>Cc</i>: an update
Marsh, Richard E.; Acta Crystallographica Section B 60 (2004) 252–253; doi:10.1107/S0108768104003878

data_2102372
_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 N6 O5 Ca'
_chemical_formula_sum            'C10 H10 Ca N6 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                 110.58
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   22.7870
_cell_length_b                   6.3670
_cell_length_c                   9.9060
_cell_volume                     1345.491
_cod_data_source_file            bk0142.cif
_cod_data_source_block           LIWKEH
_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               2102372
Space group <i>Cc</i>: an update
Marsh, Richard E.; Acta Crystallographica Section B 60 (2004) 252–253; doi:10.1107/S0108768104003878

data_2102373
_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         'C4 H15 O16 P4 Cu2, 7(H2 O)'
_chemical_formula_sum            'C4 H29 Cu2 O23 P4'
_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                 114.98
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.6500
_cell_length_b                   9.2290
_cell_length_c                   17.6500
_cell_volume                     2458.442
_cod_data_source_file            bk0142.cif
_cod_data_source_block           LOFGAO
_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               2102373
Space group <i>Cc</i>: an update
Marsh, Richard E.; Acta Crystallographica Section B 60 (2004) 252–253; doi:10.1107/S0108768104003878

data_2102374
_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         'C51 H62 N4 Rh2'
_chemical_formula_sum            'C51 H62 N4 Rh2'
_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                 120.90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.5380
_cell_length_b                   23.0700
_cell_length_c                   14.5210
_cell_volume                     4466.418
_cod_data_source_file            bk0142.cif
_cod_data_source_block           LONJON
_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               2102374
Space group <i>Cc</i>: an update
Marsh, Richard E.; Acta Crystallographica Section B 60 (2004) 252–253; doi:10.1107/S0108768104003878

data_2102375
_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 H26 N6 Zr, C6 H6'
_chemical_formula_sum            'C28 H32 N6 Zr'
_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                 96.47
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.7315
_cell_length_b                   15.9930
_cell_length_c                   18.7190
_cell_volume                     2597.327
_cod_data_source_file            bk0142.cif
_cod_data_source_block           LULCAW
_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               2102375
Space group <i>Cc</i>: an update
Marsh, Richard E.; Acta Crystallographica Section B 60 (2004) 252–253; doi:10.1107/S0108768104003878

data_2102376
_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         'C80 H64 N20 Zn3, 2(Cl O4), 5(H2 O)'
_chemical_formula_sum            'C80 H74 Cl2 N20 O13 Zn3'
_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                 123.95
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   27.5597
_cell_length_b                   18.4326
_cell_length_c                   20.1604
_cell_volume                     8495.517
_cod_data_source_file            bk0142.cif
_cod_data_source_block           LUNWIA
_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               2102376
Space group <i>Cc</i>: an update
Marsh, Richard E.; Acta Crystallographica Section B 60 (2004) 252–253; doi:10.1107/S0108768104003878

data_2102377
_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         'C64 H54 P4 S6 Pb'
_chemical_formula_sum            'C64 H54 P4 Pb S6'
_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                 92.01
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.2120
_cell_length_b                   14.4198
_cell_length_c                   25.1460
_cell_volume                     5874.859
_cod_data_source_file            bk0142.cif
_cod_data_source_block           MAWPAB
_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               2102377
Space group <i>Cc</i>: an update
Marsh, Richard E.; Acta Crystallographica Section B 60 (2004) 252–253; doi:10.1107/S0108768104003878

data_2102378
_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 H12 Cr, C12 H9 Fe O4, H2 O'
_chemical_formula_sum            'C24 H23 Cr Fe O5'
_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                 90.48
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   34.1020
_cell_length_b                   8.4310
_cell_length_c                   14.3750
_cell_volume                     4132.868
_cod_data_source_file            bk0142.cif
_cod_data_source_block           MECTAP
_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               2102378
Space group <i>Cc</i>: an update
Marsh, Richard E.; Acta Crystallographica Section B 60 (2004) 252–253; doi:10.1107/S0108768104003878

data_2102379
_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 H18 N6 O6 Cu2, H2 O'
_chemical_formula_sum            'C22 H20 Cu2 N6 O7'
_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                 93.71
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.9075
_cell_length_b                   16.7310
_cell_length_c                   7.7049
_cell_volume                     2303.630
_cod_data_source_file            bk0142.cif
_cod_data_source_block           METBIW
_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               2102379