LMucko/crystallography-open-database huggingface dataset:
The space groups of point group <i>C</i>~3~: some corrections, some comments
Marsh, Richard E.; Acta Crystallographica Section B 58 (2002) 893–899; doi:10.1107/S0108768102011758

data_2103340
_publ_section_title
;
 The space groups of point group <i>C</i>~3~: some corrections, some
 comments
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              893
_journal_page_last               899
_journal_paper_doi               10.1107/S0108768102011758
_journal_volume                  58
_journal_year                    2002
_chemical_formula_moiety         'C77 H69 N3 O2 P6 Pd2 Co, P F6'
_chemical_formula_sum            'C77 H69 Co F6 N3 O2 P7 Pd2'
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_H-M   'P 3 1 2'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            1
_cell_length_a                   15.5079
_cell_length_b                   15.5079
_cell_length_c                   11.6143
_cell_volume                     2418.965
_cod_data_source_file            bk0117.cif
_cod_data_source_block           CIGLIN
_cod_depositor_comments
;
 Adding the _cell_formula_units_Z and _chemical_formula_moiety data items
 after consulting the original publication.

 Antanas Vaitkus,
 2017-08-03
;
_cod_original_formula_sum        'C77 H69 N3 O2 P7 Pd2 Co F6'
_cod_database_code               2103340
The space groups of point group <i>C</i>~3~: some corrections, some comments
Marsh, Richard E.; Acta Crystallographica Section B 58 (2002) 893–899; doi:10.1107/S0108768102011758

data_2103341
_publ_section_title
;
 The space groups of point group <i>C</i>~3~: some corrections, some
 comments
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              893
_journal_page_last               899
_journal_paper_doi               10.1107/S0108768102011758
_journal_volume                  58
_journal_year                    2002
_chemical_formula_moiety         'C18 H60 Al3 P3 Si6'
_chemical_formula_sum            'C18 H60 Al3 P3 Si6'
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            2
_cell_length_a                   11.8152
_cell_length_b                   11.8152
_cell_length_c                   16.7019
_cell_volume                     2019.197
_cod_data_source_file            bk0117.cif
_cod_data_source_block           HILVIH
_cod_depositor_comments
;
 Adding the _cell_formula_units_Z and _chemical_formula_moiety data items
 after consulting the original publication.

 Antanas Vaitkus,
 2017-08-03
;
_cod_original_formula_sum        'C18 H60 P3 Al3 Si6'
_cod_database_code               2103341
The space groups of point group <i>C</i>~3~: some corrections, some comments
Marsh, Richard E.; Acta Crystallographica Section B 58 (2002) 893–899; doi:10.1107/S0108768102011758

data_2103342
_publ_section_title
;
 The space groups of point group <i>C</i>~3~: some corrections, some
 comments
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              893
_journal_page_last               899
_journal_paper_doi               10.1107/S0108768102011758
_journal_volume                  58
_journal_year                    2002
_chemical_formula_moiety         'C16 H29 N3 O6'
_chemical_formula_sum            'C16 H29 N3 O6'
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            2
_cell_length_a                   11.239
_cell_length_b                   11.239
_cell_length_c                   8.840
_cell_volume                     967.026
_cod_data_source_file            bk0117.cif
_cod_data_source_block           HONNAZ
_cod_depositor_comments
;
 Adding the _cell_formula_units_Z and _chemical_formula_moiety data items
 after consulting the original publication.

 Antanas Vaitkus,
 2017-08-03
;
_cod_database_code               2103342
The space groups of point group <i>C</i>~3~: some corrections, some comments
Marsh, Richard E.; Acta Crystallographica Section B 58 (2002) 893–899; doi:10.1107/S0108768102011758

data_2103343
_publ_section_title
;
 The space groups of point group <i>C</i>~3~: some corrections, some
 comments
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              893
_journal_page_last               899
_journal_paper_doi               10.1107/S0108768102011758
_journal_volume                  58
_journal_year                    2002
_chemical_formula_moiety         '3(C12 H24 S6 Fe), 2(C6 N6 Fe), 2(H2 O)'
_chemical_formula_sum            'C48 H76 Fe5 N12 O2 S18'
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_H-M   'P -3'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            1
_cell_length_a                   12.038
_cell_length_b                   12.038
_cell_length_c                   14.342
_cell_volume                     1799.903
_cod_data_source_file            bk0117.cif
_cod_data_source_block           QATZEQ
_cod_depositor_comments
;
 Adding the _cell_formula_units_Z and _chemical_formula_moiety data items
 after consulting the original publication.

 Antanas Vaitkus,
 2017-08-03
;
_cod_original_cell_volume        1800.003
_cod_original_formula_sum        'C48 H76 N12 O2 S18 Fe5'
_cod_database_code               2103343
The space groups of point group <i>C</i>~3~: some corrections, some comments
Marsh, Richard E.; Acta Crystallographica Section B 58 (2002) 893–899; doi:10.1107/S0108768102011758

data_2103344
_publ_section_title
;
 The space groups of point group <i>C</i>~3~: some corrections, some
 comments
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              893
_journal_page_last               899
_journal_paper_doi               10.1107/S0108768102011758
_journal_volume                  58
_journal_year                    2002
_chemical_formula_moiety         'C3 H17 B11 N, C4 H12 N'
_chemical_formula_sum            'C7 H29 B11 N2'
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_H-M   'P -3'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            18
_cell_length_a                   27.171
_cell_length_b                   27.171
_cell_length_c                   12.225
_cell_volume                     7816.111
_cod_data_source_file            bk0117.cif
_cod_data_source_block           VEHHAR
_cod_depositor_comments
;
 Adding the _cell_formula_units_Z and _chemical_formula_moiety data items
 after consulting the original publication.

 Antanas Vaitkus,
 2017-08-03
;
_cod_database_code               2103344
The space groups of point group <i>C</i>~3~: some corrections, some comments
Marsh, Richard E.; Acta Crystallographica Section B 58 (2002) 893–899; doi:10.1107/S0108768102011758

data_2103345
_publ_section_title
;
 The space groups of point group <i>C</i>~3~: some corrections, some
 comments
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              893
_journal_page_last               899
_journal_paper_doi               10.1107/S0108768102011758
_journal_volume                  58
_journal_year                    2002
_chemical_formula_moiety         'C40 H108 Si12 Te4 In4, 1.5(C6 H12)'
_chemical_formula_sum            'C49 H126 In4 Si12 Te4'
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_H-M   'P 3 2 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            2
_cell_length_a                   16.079
_cell_length_b                   16.079
_cell_length_c                   18.411
_cell_volume                     4122.172
_cod_data_source_file            bk0117.cif
_cod_data_source_block           ZOMROI
_cod_depositor_comments
;
 Adding the _cell_formula_units_Z and _chemical_formula_moiety data items
 after consulting the original publication.

 Antanas Vaitkus,
 2017-08-03
;
_cod_original_sg_symbol_H-M      'P 3 21'
_cod_original_formula_sum        'C49 H126 Si12 Te4 In4'
_cod_database_code               2103345
The space groups of point group <i>C</i>~3~: some corrections, some comments
Marsh, Richard E.; Acta Crystallographica Section B 58 (2002) 893–899; doi:10.1107/S0108768102011758

data_2103346
_publ_section_title
;
 The space groups of point group <i>C</i>~3~: some corrections, some
 comments
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              893
_journal_page_last               899
_journal_paper_doi               10.1107/S0108768102011758
_journal_volume                  58
_journal_year                    2002
_chemical_formula_moiety         'C15 H21 O3 Br'
_chemical_formula_sum            'C15 H21 Br O3'
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_H-M   'P 31 2 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            6
_cell_length_a                   7.59
_cell_length_b                   7.59
_cell_length_c                   43.99
_cell_volume                     2194.665
_cod_data_source_file            bk0117.cif
_cod_data_source_block           APLYSU01
_cod_depositor_comments
;
 Adding the _cell_formula_units_Z and _chemical_formula_moiety data items
 after consulting the original publication.

 Antanas Vaitkus,
 2017-08-03
;
_cod_original_sg_symbol_H-M      'P 31 21'
_cod_original_formula_sum        'C15 H21 O3 Br'
_cod_database_code               2103346
The space groups of point group <i>C</i>~3~: some corrections, some comments
Marsh, Richard E.; Acta Crystallographica Section B 58 (2002) 893–899; doi:10.1107/S0108768102011758

data_2103347
_publ_section_title
;
 The space groups of point group <i>C</i>~3~: some corrections, some
 comments
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              893
_journal_page_last               899
_journal_paper_doi               10.1107/S0108768102011758
_journal_volume                  58
_journal_year                    2002
_chemical_formula_moiety         'C32 H46 O8 S'
_chemical_formula_sum            'C32 H46 O8 S'
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_H-M   'P 32 2 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            3
_cell_length_a                   9.971
_cell_length_b                   9.971
_cell_length_c                   28.304
_cell_volume                     2437.002
_cod_data_source_file            bk0117.cif
_cod_data_source_block           BECXEM
_cod_depositor_comments
;
 Adding the _cell_formula_units_Z and _chemical_formula_moiety data items
 after consulting the original publication.

 Antanas Vaitkus,
 2017-08-03
;
_cod_database_code               2103347
The space groups of point group <i>C</i>~3~: some corrections, some comments
Marsh, Richard E.; Acta Crystallographica Section B 58 (2002) 893–899; doi:10.1107/S0108768102011758

data_2103348
_publ_section_title
;
 The space groups of point group <i>C</i>~3~: some corrections, some
 comments
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              893
_journal_page_last               899
_journal_paper_doi               10.1107/S0108768102011758
_journal_volume                  58
_journal_year                    2002
_chemical_formula_moiety         'C18 H16 N2 O8 Cu Ni, H2 O'
_chemical_formula_sum            'C18 H18 Cu N2 Ni O9'
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_H-M   'P 31 2 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            3
_cell_length_a                   12.8071
_cell_length_b                   12.8071
_cell_length_c                   9.8157
_cell_volume                     1394.291
_cod_data_source_file            bk0117.cif
_cod_data_source_block           BIHZEX
_cod_depositor_comments
;
 Adding the _cell_formula_units_Z and _chemical_formula_moiety data items
 after consulting the original publication.

 Antanas Vaitkus,
 2017-08-03
;
_cod_original_formula_sum        'C18 H18 N2 O9 Cu Ni'
_cod_database_code               2103348
The space groups of point group <i>C</i>~3~: some corrections, some comments
Marsh, Richard E.; Acta Crystallographica Section B 58 (2002) 893–899; doi:10.1107/S0108768102011758

data_2103349
_publ_section_title
;
 The space groups of point group <i>C</i>~3~: some corrections, some
 comments
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              893
_journal_page_last               899
_journal_paper_doi               10.1107/S0108768102011758
_journal_volume                  58
_journal_year                    2002
_chemical_formula_moiety         'C18 H16 N2 O8 Ni2, H2 O'
_chemical_formula_sum            'C18 H18 N2 Ni2 O9'
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_H-M   'P 32 2 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            3
_cell_length_a                   12.7701
_cell_length_b                   12.7701
_cell_length_c                   9.9409
_cell_volume                     1403.928
_cod_data_source_file            bk0117.cif
_cod_data_source_block           BIHZIB
_cod_depositor_comments
;
 Adding the _cell_formula_units_Z and _chemical_formula_moiety data items
 after consulting the original publication.

 Antanas Vaitkus,
 2017-08-03
;
_cod_original_formula_sum        'C18 H18 N2 O9 Ni2'
_cod_database_code               2103349
The space groups of point group <i>C</i>~3~: some corrections, some comments
Marsh, Richard E.; Acta Crystallographica Section B 58 (2002) 893–899; doi:10.1107/S0108768102011758

data_2103350
_publ_section_title
;
 The space groups of point group <i>C</i>~3~: some corrections, some
 comments
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              893
_journal_page_last               899
_journal_paper_doi               10.1107/S0108768102011758
_journal_volume                  58
_journal_year                    2002
_chemical_formula_moiety         'C22 H28 Fe2'
_chemical_formula_sum            'C22 H28 Fe2'
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_H-M   'P 31 2 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            3
_cell_length_a                   8.059
_cell_length_b                   8.059
_cell_length_c                   25.187
_cell_volume                     1416.672
_cod_data_source_file            bk0117.cif
_cod_data_source_block           CACSOO
_cod_depositor_comments
;
 Adding the _cell_formula_units_Z and _chemical_formula_moiety data items
 after consulting the original publication.

 Antanas Vaitkus,
 2017-08-03
;
_cod_database_code               2103350
The space groups of point group <i>C</i>~3~: some corrections, some comments
Marsh, Richard E.; Acta Crystallographica Section B 58 (2002) 893–899; doi:10.1107/S0108768102011758

data_2103351
_publ_section_title
;
 The space groups of point group <i>C</i>~3~: some corrections, some
 comments
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              893
_journal_page_last               899
_journal_paper_doi               10.1107/S0108768102011758
_journal_volume                  58
_journal_year                    2002
_chemical_formula_moiety         'C24 H20 N4 Cl2 Pd'
_chemical_formula_sum            'C24 H20 Cl2 N4 Pd'
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_H-M   'P 31 2 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            3
_cell_length_a                   9.136
_cell_length_b                   9.136
_cell_length_c                   23.340
_cell_volume                     1687.111
_cod_data_source_file            bk0117.cif
_cod_data_source_block           DCAZPD
_cod_depositor_comments
;
 Adding the _cell_formula_units_Z and _chemical_formula_moiety data items
 after consulting the original publication.

 Antanas Vaitkus,
 2017-08-03
;
_cod_original_formula_sum        'C24 H20 N4 Cl2 Pd'
_cod_database_code               2103351
The space groups of point group <i>C</i>~3~: some corrections, some comments
Marsh, Richard E.; Acta Crystallographica Section B 58 (2002) 893–899; doi:10.1107/S0108768102011758

data_2103352
_publ_section_title
;
 The space groups of point group <i>C</i>~3~: some corrections, some
 comments
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              893
_journal_page_last               899
_journal_paper_doi               10.1107/S0108768102011758
_journal_volume                  58
_journal_year                    2002
_chemical_formula_moiety         'C20 H38 Cl P S'
_chemical_formula_sum            'C20 H38 Cl P S'
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_H-M   'P 31 2 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            3
_cell_length_a                   8.518
_cell_length_b                   8.518
_cell_length_c                   26.638
_cell_volume                     1673.815
_cod_data_source_file            bk0117.cif
_cod_data_source_block           DUWFUW
_cod_depositor_comments
;
 Adding the _cell_formula_units_Z and _chemical_formula_moiety data items
 after consulting the original publication.

 Antanas Vaitkus,
 2017-08-03

Changed _atom_site_label for X1 and added _atom_site_occupancy to
the atoms loop to complete the structure as from the reference 

Luca Lutterotti  3/5/2013
;
_cod_database_code               2103352
The space groups of point group <i>C</i>~3~: some corrections, some comments
Marsh, Richard E.; Acta Crystallographica Section B 58 (2002) 893–899; doi:10.1107/S0108768102011758

data_2103353
_publ_section_title
;
 The space groups of point group <i>C</i>~3~: some corrections, some
 comments
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              893
_journal_page_last               899
_journal_paper_doi               10.1107/S0108768102011758
_journal_volume                  58
_journal_year                    2002
_chemical_formula_moiety         'C34 H36 N4 S3 Zn'
_chemical_formula_sum            'C34 H36 N4 S3 Zn'
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_H-M   'P 62'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            3
_cell_length_a                   19.221
_cell_length_b                   19.221
_cell_length_c                   8.348
_cell_volume                     2670.946
_cod_data_source_file            bk0117.cif
_cod_data_source_block           FEKQIV
_cod_depositor_comments
;
 Adding the _cell_formula_units_Z and _chemical_formula_moiety data items
 after consulting the original publication.

 Antanas Vaitkus,
 2017-08-03
;
_cod_database_code               2103353
The space groups of point group <i>C</i>~3~: some corrections, some comments
Marsh, Richard E.; Acta Crystallographica Section B 58 (2002) 893–899; doi:10.1107/S0108768102011758

data_2103354
_publ_section_title
;
 The space groups of point group <i>C</i>~3~: some corrections, some
 comments
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              893
_journal_page_last               899
_journal_paper_doi               10.1107/S0108768102011758
_journal_volume                  58
_journal_year                    2002
_chemical_formula_moiety         'C24 H16 N10 S2 Pd, 3(H2 O)'
_chemical_formula_sum            'C24 H22 N10 O3 Pd S2'
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_H-M   'P 31 1 2'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            3
_cell_length_a                   10.749
_cell_length_b                   10.749
_cell_length_c                   19.872
_cell_volume                     1988.421
_cod_data_source_file            bk0117.cif
_cod_data_source_block           FIQPOK
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2017-08-16

 Adding the _cell_formula_units_Z and _chemical_formula_moiety data items
 after consulting the original publication.

 Antanas Vaitkus,
 2017-08-03
;
_cod_original_formula_sum        'C24 H22 N10 O3 S2 Pd'
_cod_database_code               2103354
The space groups of point group <i>C</i>~3~: some corrections, some comments
Marsh, Richard E.; Acta Crystallographica Section B 58 (2002) 893–899; doi:10.1107/S0108768102011758

data_2103355
_publ_section_title
;
 The space groups of point group <i>C</i>~3~: some corrections, some
 comments
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              893
_journal_page_last               899
_journal_paper_doi               10.1107/S0108768102011758
_journal_volume                  58
_journal_year                    2002
_chemical_formula_moiety         'C15 H45 O8 S4 P5 Pd5, C6 H6'
_chemical_formula_sum            'C21 H51 O8 P5 Pd5 S4'
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_H-M   'P 31 2 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            3
_cell_length_a                   10.749
_cell_length_b                   10.749
_cell_length_c                   19.872
_cell_volume                     1988.421
_cod_data_source_file            bk0117.cif
_cod_data_source_block           GESTIH
_cod_depositor_comments
;
 Adding the _cell_formula_units_Z and _chemical_formula_moiety data items
 after consulting the original publication.

 Antanas Vaitkus,
 2017-08-03
;
_cod_original_formula_sum        'C21 H51 O8 S4 P5 Pd5'
_cod_database_code               2103355