LMucko/crystallography-open-database huggingface dataset:
Some 60 new space-group corrections
Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.; Acta Crystallographica Section B 58 (2002) 62–77; doi:10.1107/S0108768101017128

data_2103190
_publ_section_title
;
 Some 60 new space-group corrections
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              62
_journal_page_last               77
_journal_paper_doi               10.1107/S0108768101017128
_journal_volume                  58
_journal_year                    2002
_chemical_formula_sum            'C6 H12 N3 P'
_chemical_name_systematic        1,3,5-Triaza-7-phospha-adamantane
_space_group_crystal_system      trigonal
_space_group_IT_number           160
_space_group_name_Hall           'P 3* -2'
_space_group_name_H-M_alt        'R 3 m :R'
_cell_angle_alpha                105.94
_cell_angle_beta                 105.94
_cell_angle_gamma                105.94
_cell_formula_units_Z            1
_cell_length_a                   6.024
_cell_length_b                   6.024
_cell_length_c                   6.024
_cell_volume                     187.069
_cod_data_source_file            bm0047.cif
_cod_data_source_block           CSD_CIF_Table_29S
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2017-08-04

 Adding the _cell_formula_units_Z data item after consulting the original
 publication.

 Antanas Vaitkus,
 2017-08-04

 Changing the space group from 'R 3 -2"' to 'P 3* -2' after consulting the
 original publication.

 Antanas Vaitkus,
 2017-08-04

The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Rhombohedral' changed to 'rhombohedral'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Rhombohedral' changed to
'rhombohedral' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      'R3m   '
_cod_original_formula_sum        ' C6H12N3P '
_cod_database_code               2103190
Some 60 new space-group corrections
Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.; Acta Crystallographica Section B 58 (2002) 62–77; doi:10.1107/S0108768101017128

data_2103191
_publ_section_title
;
 Some 60 new space-group corrections
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              62
_journal_page_last               77
_journal_paper_doi               10.1107/S0108768101017128
_journal_volume                  58
_journal_year                    2002
_chemical_name_systematic
'trans-[Pt(CF3){N=C(Ph)OCH2CH2CH2}(PPh3)2]BF4. [PtC45.8H41F6.4NOBP2]Cl0.2'
_space_group_IT_number           176
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   22.590
_cell_length_b                   22.590
_cell_length_c                   15.970
_cell_volume                     7057.778
_cod_data_source_file            bm0047.cif
_cod_data_source_block           CSD_CIF_Table_30S
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Hexagonal' changed to 'hexagonal'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Hexagonal' changed to 'hexagonal'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      P63/m
_cod_database_code               2103191
Some 60 new space-group corrections
Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.; Acta Crystallographica Section B 58 (2002) 62–77; doi:10.1107/S0108768101017128

data_2103192
_publ_section_title
;
 Some 60 new space-group corrections
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              62
_journal_page_last               77
_journal_paper_doi               10.1107/S0108768101017128
_journal_volume                  58
_journal_year                    2002
_chemical_formula_structural     'C Cl4 3[S C (N H2)2]'
_chemical_formula_sum            'C4 H12 Cl4 N6 S3'
_chemical_name_systematic        ' Carbon tetrachloride-thiourea (1/3) '
_space_group_IT_number           148
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   15.53
_cell_length_b                   15.53
_cell_length_c                   12.529
_cell_volume                     2616.917
_cod_data_source_file            bm0047.cif
_cod_data_source_block           CSD_CIF_Table_31S
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Hexagonal' changed to 'hexagonal'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Hexagonal' changed to 'hexagonal'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      'R-3 '
_cod_original_formula_sum        ' CCl4.3[SC(NH2)2]'
_cod_database_code               2103192
Some 60 new space-group corrections
Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.; Acta Crystallographica Section B 58 (2002) 62–77; doi:10.1107/S0108768101017128

data_2103193
_publ_section_title
;
 Some 60 new space-group corrections
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              62
_journal_page_last               77
_journal_paper_doi               10.1107/S0108768101017128
_journal_volume                  58
_journal_year                    2002
_chemical_formula_sum            'C10 H16 O2'
_chemical_name_systematic        Adamantane-1,3-diol
_space_group_IT_number           193
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-P 6c 2'
_symmetry_space_group_name_H-M   'P 63/m c m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            6
_cell_length_a                   11.885
_cell_length_b                   11.885
_cell_length_c                   10.939
_cell_volume                     1338.156
_cod_data_source_file            bm0047.cif
_cod_data_source_block           CSD_CIF_Table_32S
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Hexagonal' changed to 'hexagonal'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      P63/mcm
_cod_original_formula_sum        ' C10H14O2   '
_cod_database_code               2103193
Some 60 new space-group corrections
Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.; Acta Crystallographica Section B 58 (2002) 62–77; doi:10.1107/S0108768101017128

data_2103194
_publ_section_title
;
 Some 60 new space-group corrections
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              62
_journal_page_last               77
_journal_paper_doi               10.1107/S0108768101017128
_journal_volume                  58
_journal_year                    2002
_chemical_formula_moiety         '2(C2 H10 N2 2+), (Cl6 Ru 3-), Cl 1-, H2 O'
_chemical_formula_sum            'C4 H22 Cl7 N4 O Ru'
_chemical_name_systematic
;
 Bis(ethylenediammonium) hexachlororuthenate(III) monochloride monohydrate
;
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.66
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.393
_cell_length_b                   10.031
_cell_length_c                   8.089
_cell_volume                     843.240
_cod_data_source_file            bm0047.cif
_cod_data_source_block           CSD_CIF_Table_33S
_cod_depositor_comments
;
 Adding the _chemical_formula_moiety and _chemical_formula_sum data items
 after consulting the original publication.

 Antanas Vaitkus,
 2017-08-03

 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2017-01-27
;
_cod_original_sg_symbol_H-M      'P21/m   '
_cod_database_code               2103194
Some 60 new space-group corrections
Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.; Acta Crystallographica Section B 58 (2002) 62–77; doi:10.1107/S0108768101017128

data_2103195
_publ_section_title
;
 Some 60 new space-group corrections
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              62
_journal_page_last               77
_journal_paper_doi               10.1107/S0108768101017128
_journal_volume                  58
_journal_year                    2002
_chemical_formula_structural     'Na [H O (O2 N) C6 H3 S O3] 0.5(H2 O)'
_chemical_formula_sum            'C6 H5 N Na O6.5 S'
_chemical_name_systematic        '  ?  '
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.29
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   8.293
_cell_length_b                   16.580
_cell_length_c                   13.465
_cell_volume                     1851.386
_cod_data_source_file            bm0047.cif
_cod_data_source_block           CSD_CIF_Table_34S
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2017-08-04

 Adding the _cell_formula_units_Z data item after consulting the original
 publication.

 Antanas Vaitkus,
 2017-08-04

2023-05-16
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_formula_units_Z            2
_cod_original_sg_symbol_H-M      'P2/c   '
_cod_original_formula_sum        ' Na4[HO(O2N)C6H3SO3]4.2H2O '
_cod_database_code               2103195
Some 60 new space-group corrections
Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.; Acta Crystallographica Section B 58 (2002) 62–77; doi:10.1107/S0108768101017128

data_2103196
_publ_section_title
;
 Some 60 new space-group corrections
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              62
_journal_page_last               77
_journal_paper_doi               10.1107/S0108768101017128
_journal_volume                  58
_journal_year                    2002
_chemical_formula_sum            'C6 Cd3 I2 N6'
_chemical_name_systematic
;
catena-(bis(Tetramethylammonium)
(hexa(?2-cyano)-di-iodo-tri-cadmium) tetrachloroethene clathrate)
{n(C6Cd3I2N62-), 2n(C4H12N+), n(C2Cl4)}
;
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 92.01
_cell_angle_gamma                90.00
_cell_length_a                   15.467
_cell_length_b                   8.541
_cell_length_c                   12.840
_cell_volume                     1695.167
_cod_data_source_file            bm0047.cif
_cod_data_source_block           CSD_CIF_Table_35s
_cod_original_sg_symbol_H-M      'C2/m   '
_cod_original_formula_sum        ' C6Cd3I2N6 '
_cod_database_code               2103196
Some 60 new space-group corrections
Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.; Acta Crystallographica Section B 58 (2002) 62–77; doi:10.1107/S0108768101017128

data_2103197
_publ_section_title
;
 Some 60 new space-group corrections
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              62
_journal_page_last               77
_journal_paper_doi               10.1107/S0108768101017128
_journal_volume                  58
_journal_year                    2002
_chemical_formula_moiety         '(C12 H28 Cu N4) 2(N O3)'
_chemical_formula_sum            'C12 H28 Cu N6 O6'
_chemical_name_systematic
' bis(cis-1,3-Cyclohexanediamine-N,N')-copper(ii) dinitrate '
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 117.12
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.059
_cell_length_b                   9.278
_cell_length_c                   10.428
_cell_volume                     866.216
_cod_data_source_file            bm0047.cif
_cod_data_source_block           CSD_CIF_Table_36S
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2017-08-16
;
_cod_original_sg_symbol_H-M      'C2/m '
_cod_original_formula_sum        ' C12H28CuN42+ ,2(NO3-)'
_cod_database_code               2103197
Some 60 new space-group corrections
Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.; Acta Crystallographica Section B 58 (2002) 62–77; doi:10.1107/S0108768101017128

data_2103198
_publ_section_title
;
 Some 60 new space-group corrections
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              62
_journal_page_last               77
_journal_paper_doi               10.1107/S0108768101017128
_journal_volume                  58
_journal_year                    2002
_chemical_formula_sum            'C17 H2 Co Ir O2'
_chemical_name_systematic
;
Bis(?2-Carbonyl)-(?5-cyclopentadienyl)-(?5-pentamethyl-cyclopentadienyl)
-cobalt-iridium
;
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 93.700
_cell_angle_gamma                90.00
_cell_length_a                   17.305
_cell_length_b                   9.299
_cell_length_c                   10.2970
_cell_volume                     1653.531
_cod_data_source_file            bm0047.cif
_cod_data_source_block           CSD_CIF_Table_37S
_cod_original_sg_symbol_H-M      ' C2/m  '
_cod_original_formula_sum        ' C17H2 CoIrO2    '
_cod_database_code               2103198
Some 60 new space-group corrections
Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.; Acta Crystallographica Section B 58 (2002) 62–77; doi:10.1107/S0108768101017128

data_2103199
_publ_section_title
;
 Some 60 new space-group corrections
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              62
_journal_page_last               77
_journal_paper_doi               10.1107/S0108768101017128
_journal_volume                  58
_journal_year                    2002
_chemical_formula_structural     '[C (N H2)3]2 Ti F6'
_chemical_formula_sum            'C2 H12 F6 N6 Ti'
_chemical_name_systematic        'Bis-guanidinium  hexafluorotitanium'
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 114.45
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   12.869
_cell_length_b                   7.378
_cell_length_c                   6.243
_cell_volume                     539.600
_cod_data_source_file            bm0047.cif
_cod_data_source_block           CSD_CIF_Table_38S
_cod_depositor_comments
;
 Adding the _cell_formula_units_Z data item after consulting the original
 publication.

 Antanas Vaitkus,
 2017-08-04

 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2017-03-27
;
_cod_original_sg_symbol_H-M      'C2/m   '
_cod_original_formula_sum        C(NH2)3]2TiF6
_cod_database_code               2103199
Some 60 new space-group corrections
Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.; Acta Crystallographica Section B 58 (2002) 62–77; doi:10.1107/S0108768101017128

data_2103200
_publ_section_title
;
 Some 60 new space-group corrections
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              62
_journal_page_last               77
_journal_paper_doi               10.1107/S0108768101017128
_journal_volume                  58
_journal_year                    2002
_chemical_formula_moiety         '(C60) (C28 H20) (C6 H6)3'
_chemical_formula_sum            'C106 H38'
_chemical_name_systematic
;
C60-fullerene 5,6,11,12-tetrahydro-5,12(1',2'):6,11(1'',2'')
-dibenzenodibenzo(a,e)cyclo-octene benzene solvate
;
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 110.970
_cell_angle_gamma                90.00
_cell_length_a                   13.260
_cell_length_b                   15.177
_cell_length_c                   15.764
_cell_volume                     2962.340
_cod_data_source_file            bm0047.cif
_cod_data_source_block           CSD_CIF_Table_39S
_cod_original_sg_symbol_H-M      ' C2/m  '
_cod_original_formula_sum        ' C60, C28H20, 3(C6H6) '
_cod_database_code               2103200
Some 60 new space-group corrections
Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.; Acta Crystallographica Section B 58 (2002) 62–77; doi:10.1107/S0108768101017128

data_2103201
_publ_section_title
;
 Some 60 new space-group corrections
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              62
_journal_page_last               77
_journal_paper_doi               10.1107/S0108768101017128
_journal_volume                  58
_journal_year                    2002
_chemical_formula_sum            'C3 H4 K N3 O4'
_chemical_name_systematic        ' catena-(Potassium cyanurate monohydrate)'
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 103.80(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   11.044(3)
_cell_length_b                   16.390(3)
_cell_length_c                   7.199(2)
_cell_volume                     1265.5(6)
_cod_data_source_file            bm0047.cif
_cod_data_source_block           CSD_CIF_Table_40s
_cod_depositor_comments
;
 Adding the _cell_formula_units_Z data item after consulting the original
 publication.

 Antanas Vaitkus,
 2017-08-04
;
_cod_original_formula_sum        ' KC3H2N3O3H2O'
_cod_database_code               2103201
Some 60 new space-group corrections
Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.; Acta Crystallographica Section B 58 (2002) 62–77; doi:10.1107/S0108768101017128

data_2103202
_publ_section_title
;
 Some 60 new space-group corrections
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              62
_journal_page_last               77
_journal_paper_doi               10.1107/S0108768101017128
_journal_volume                  58
_journal_year                    2002
_chemical_formula_moiety         '(C12 H24 N4 S8 W1) (C12 H4 N4)'
_chemical_formula_sum            'C24 H28 N8 S8 W'
_chemical_name_systematic
;
tetrakis(dimethyldithiocarbamato)-tungsten(v)
7,7,8,8-tetracyanoquinodimethanide
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 91.11
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.894
_cell_length_b                   18.666
_cell_length_c                   14.059
_cell_volume                     3383.077
_cod_data_source_file            bm0047.cif
_cod_data_source_block           CSD_CIF_Table_41S
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2017-08-04

 Adding the _cell_formula_units_Z data item after consulting the original
 publication.

 Antanas Vaitkus,
 2017-08-04
;
_cod_original_sg_symbol_H-M      ' C2/c  '
_cod_original_formula_sum        ' C12 H24 N4 S8 W1 1+, C12 H4 N4 1 '
_cod_database_code               2103202
Some 60 new space-group corrections
Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.; Acta Crystallographica Section B 58 (2002) 62–77; doi:10.1107/S0108768101017128

data_2103203
_publ_section_title
;
 Some 60 new space-group corrections
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              62
_journal_page_last               77
_journal_paper_doi               10.1107/S0108768101017128
_journal_volume                  58
_journal_year                    2002
_chemical_formula_moiety         'C22 H16 N4 O6 F6 S2 Ni'
_chemical_formula_sum            'C22 H16 F6 N4 Ni O6 S2'
_chemical_name_systematic        ?
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 101.98
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.941
_cell_length_b                   14.48
_cell_length_c                   18.55
_cell_volume                     2612.036
_cod_data_source_file            bm0047.cif
_cod_data_source_block           CSD_CIF_Table_42S
_cod_depositor_comments
;
 Adding the _chemical_formula_moiety and _chemical_formula_sum data items
 after consulting the original publication.

 Antanas Vaitkus,
 2017-08-03
;
_cod_original_sg_symbol_H-M      'C2/c   '
_cod_database_code               2103203