LMucko/crystallography-open-database huggingface dataset:
The Crystal Structures of Cr~2~Al and Cr~2~Al~8~
A. J. Bradley; S. S. Lu; Z. Kristallogr. A 96 (1937) 20–37; doi:10.1524/zkri.1937.96.1.20

data_1100049
_publ_section_title
;
  The Crystal Structures of Cr~2~Al and Cr~2~Al~8~
;
_journal_issue                   1
_journal_name_full               'Z. Kristallogr. A'
_journal_page_first              20
_journal_page_last               37
_journal_paper_doi               10.1524/zkri.1937.96.1.20
_journal_volume                  96
_journal_year                    1937
_chemical_formula_sum            'Al8 Cr5'
_chemical_name_structure_type    Al8Cr5
_space_group_IT_number           160
_symmetry_cell_setting           rhombohedral
_symmetry_space_group_name_Hall  'P 3* -2'
_symmetry_space_group_name_H-M   'R 3 m :R'
_cell_angle_alpha                109.127
_cell_angle_beta                 109.127
_cell_angle_gamma                109.127
_cell_formula_units_Z            2
_cell_length_a                   7.805
_cell_length_b                   7.805
_cell_length_c                   7.805
_cell_volume                     370.60
_cod_depositor_comments
;
 Replacing the _atom_type_symbol data name with the _atom_site_type_symbol
 data name in the ATOM_SITE loop.

 Antanas Vaitkus,
 2018-08-07

    Publication title and DOI restored from
    http://www.wuli.ac.cn/fileup/PDF/20051011.pdf and
    http://dx.doi.org/10.1524/zkri.1937.96.1.20

    Saulius Gra\<zulis
    2014-04-23
;
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_database_code               1100049
γ-Brasses with R cells
Brandon, J. K.; Pearson, W. B.; Riley, P. W.; Chien, C.; Stokhuyzen, R.; Acta Crystallographica Section B 33 (1977) 1088–1095; doi:10.1107/S0567740877005433

data_1100050
_publ_section_title
;
 \g-Brasses with R cells
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              1088
_journal_page_last               1095
_journal_paper_doi               10.1107/S0567740877005433
_journal_volume                  33
_journal_year                    1977
_chemical_formula_sum            'Al16 Cr9.5'
_chemical_name_structure_type    Al8Cr5
_space_group_IT_number           160
_symmetry_cell_setting           rhombohedral
_symmetry_space_group_name_Hall  'P 3* -2'
_symmetry_space_group_name_H-M   'R 3 m :R'
_cell_angle_alpha                109.13
_cell_angle_beta                 109.13
_cell_angle_gamma                109.13
_cell_formula_units_Z            1
_cell_length_a                   7.811
_cell_length_b                   7.811
_cell_length_c                   7.811
_cell_volume                     371.42
_cod_depositor_comments
;
 Replacing the _atom_type_symbol data name with the _atom_site_type_symbol
 data name in the ATOM_SITE loop.

 Antanas Vaitkus,
 2018-08-07
;
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_original_formula_sum        'Al16 Cr9.50'
_cod_database_code               1100050
γ-Brasses with R cells
Brandon, J. K.; Pearson, W. B.; Riley, P. W.; Chien, C.; Stokhuyzen, R.; Acta Crystallographica Section B 33 (1977) 1088–1095; doi:10.1107/S0567740877005433

data_1100051
_publ_section_title
;
 \g-Brasses with R cells
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              1088
_journal_page_last               1095
_journal_paper_doi               10.1107/S0567740877005433
_journal_volume                  33
_journal_year                    1977
_chemical_formula_sum            'Al65 Cr27 Fe8'
_chemical_name_structure_type    Al8Cr5
_space_group_IT_number           160
_symmetry_cell_setting           rhombohedral
_symmetry_space_group_name_Hall  'R 3 -2"'
_symmetry_space_group_name_H-M   'R 3 m :H'
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                120.0(3)
_cell_formula_units_Z            ?
_cell_length_a                   12.6963024(3)
_cell_length_b                   12.6963024(3)
_cell_length_c                   7.9210911(7)
_cell_measurement_temperature    300
_cell_volume                     1105.78(3)
_pd_meas_2theta_range_inc        0.03200
_pd_meas_2theta_range_max        143.98399
_pd_meas_2theta_range_min        14.00000
_pd_meas_number_of_points        4063
_cod_depositor_comments
;
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:

'_cell_measurement_temperature' value '300K' was changed to '300' -
the value should be numeric and without a unit designator.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_sg_symbol_H-M      'R 3 M'
_cod_database_code               1100051
Ab intio structure determination of a new compound, beta-SrGaBO~4~,from powder diffraction data
Yang, Z; Liang, J; Chen, X; Chen, J; Journal of Solid State Chemistry 165 (2002) 119–124; doi:10.1006/jssc.2001.9509

data_1100052
_publ_section_title
;
Ab intio structure determination of a new compound,
beta-SrGaBO~4~,from powder diffraction data
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              119
_journal_page_last               124
_journal_paper_doi               10.1006/jssc.2001.9509
_journal_volume                  165
_journal_year                    2002
_chemical_formula_structural     'Sr Ga B O4'
_chemical_formula_sum            'B Ga O4 Sr'
_chemical_name_systematic
;
Strontium Gallium Boron Oxide (1/1/1/4)
;
_space_group_IT_number           18
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      18
_symmetry_space_group_name_Hall  'P 2 2ab'
_symmetry_space_group_name_H-M   'P 21 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   15.3706(2)
_cell_length_b                   8.9921(1)
_cell_length_c                   5.9191(1)
_cell_volume                     818.11(2)
_refine_ls_R_factor_all          0.11
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Cubic' changed to 'cubic' 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 
;
_cod_database_code               1100052
A structural study of BaTi(BO~3~)~2~
Zhang, S; Wu, X; Chen, X; He, M; Cao, Y; Song,Y; Ni,D; Materials Research Bulletin 38 (2003) 783–788; doi:10.1016/S0025-5408(03)00073-4

data_1100054
_publ_section_title
;
A structural study of BaTi(BO~3~)~2~
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              783
_journal_page_last               788
_journal_paper_doi               10.1016/S0025-5408(03)00073-4
_journal_volume                  38
_journal_year                    2003
_chemical_formula_structural     'Ba Ti B2 O6'
_chemical_formula_sum            'B2 Ba O6 Ti'
_chemical_name_systematic
;
Barium Titanium Boron Oxide (1/1/2/6)
;
_space_group_crystal_system      trigonal
_space_group_IT_number           148
_space_group_name_Hall           '-R 3'
_space_group_name_H-M_alt        'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   5.0205(2)
_cell_length_b                   5.0205(2)
_cell_length_c                   16.3844(1)
_cell_volume                     357.641(1)
_refine_ls_R_factor_all          0.09
_cod_depositor_comments
;
 Adding the '_space_group_symop_id' data item.

 Antanas Vaitkus,
 2017-07-04

 Changing the space group from '-P 3' to '-R 3' after consulting the original
 publication. All related space group information was changed accordingly.

 Antanas Vaitkus,
 2017-07-04

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 
;
_cod_original_sg_symbol_H-M      'R -3'
_cod_database_code               1100054
A structural study of Ca~3~La~3~(BO~3~)~5~
Zhang, Y; Liang, J; Chen, X; He, M; Xu, T; Journal of Alloys and Compounds 327 (2001) 96–99; doi:10.1016/S0925-8388(01)01405-0

data_1100055
_publ_section_title
;
A structural study of Ca~3~La~3~(BO~3~)~5~
;
_journal_name_full               'Journal of Alloys and Compounds'
_journal_page_first              96
_journal_page_last               99
_journal_paper_doi               10.1016/S0925-8388(01)01405-0
_journal_volume                  327
_journal_year                    2001
_chemical_formula_structural     'Ca3 La3 B5 O15'
_chemical_formula_sum            'B5 Ca3 La3 O15'
_chemical_name_systematic
;
Calcium Lanthanum Boron Oxide (3/3/5/15)
;
_space_group_IT_number           186
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      186
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   10.5319(3)
_cell_length_b                   10.5319(3)
_cell_length_c                   6.4077(1)
_cell_volume                     615.53
_refine_ls_R_factor_all          0.08
_cod_database_code               1100055
Synthesis and crystal structure of a new compound CaGaBO~4~
Yang, Z; Liang, J; Chen, X; Xu, T; Xu, Y; Journal of Alloys and Compounds 327 (2001) 215–219; doi:10.1016/S0925-8388(01)01416-5

data_1100056
_publ_section_title
;
Synthesis and crystal structure of a new compound CaGaBO~4~
;
_journal_name_full               'Journal of Alloys and Compounds'
_journal_page_first              215
_journal_page_last               219
_journal_paper_doi               10.1016/S0925-8388(01)01416-5
_journal_volume                  327
_journal_year                    2001
_chemical_formula_structural     'Ca Ga B O4'
_chemical_formula_sum            'B Ca Ga O4'
_chemical_name_systematic
;
Calcium Gallium Boron Oxide (1/1/1/4)
;
_space_group_IT_number           37
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      37
_symmetry_space_group_name_Hall  'C 2 -2c'
_symmetry_space_group_name_H-M   'C c c 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   15.473(1)
_cell_length_b                   8.2940(8)
_cell_length_c                   5.8392(6)
_cell_volume                     749.3
_refine_ls_R_factor_all          0.10
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
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 
;
_cod_original_sg_symbol_H-M      'C cc2'
_cod_database_code               1100056
_cod_duplicate_entry 1100046
New refinements of the γ brass type structures Cu~5~Zn~8~, Cu~5~Cd~8~ and Fe~3~Zn~10~
Brandon, J. K.; Brizard, R. Y.; Chieh, P. C.; McMillan, R. K.; Pearson, W. B.; Acta Crystallographica Section B 30 (1974) 1412–1417; doi:10.1107/S0567740874004997

data_1100057
_publ_section_title
;
 New refinements of the \g brass type structures Cu~5~Zn~8~, Cu~5~Cd~8~
 and Fe~3~Zn~10~
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              1412
_journal_page_last               1417
_journal_paper_doi               10.1107/S0567740874004997
_journal_volume                  30
_journal_year                    1974
_chemical_formula_sum            'Cu5 Zn8'
_chemical_name_structure_type    Cu5Zn8
_space_group_IT_number           217
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      217
_symmetry_space_group_name_Hall  'I -4 2 3'
_symmetry_space_group_name_H-M   'I -4 3 m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.878
_cell_length_b                   8.878
_cell_length_c                   8.878
_cell_volume                     699.75
_cod_depositor_comments
;
 Replacing the _atom_type_symbol data name with the _atom_site_type_symbol
 data name in the ATOM_SITE loop.

 Antanas Vaitkus,
 2018-08-07
;
_cod_database_code               1100057
A comparison of the crystal structures of Cu~5~Zn~8~ and Cu~5~Cd~8~
Bradley, A. J.; Gregory, C. H.; The London, Edinburgh, and Dublin Philosophical Magazine and Journal of Science: Series 7 12 (1931) 143–162; doi:10.1080/14786443109461789

data_1100058
_publ_section_title
;
A comparison of the crystal structures of Cu~5~Zn~8~ and Cu~5~Cd~8~
;
_journal_coden_ASTM              PHMAA4
_journal_issue                   75
_journal_name_full
;
The London, Edinburgh, and Dublin Philosophical Magazine and
Journal of Science: Series 7
;
_journal_page_first              143
_journal_page_last               162
_journal_paper_doi               10.1080/14786443109461789
_journal_volume                  12
_journal_year                    1931
_chemical_formula_sum            'Cu5 Zn8'
_chemical_name_structure_type    Cu5Zn8
_space_group_IT_number           217
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      217
_symmetry_space_group_name_Hall  'I -4 2 3'
_symmetry_space_group_name_H-M   'I -4 3 m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.8500
_cell_length_b                   8.8500
_cell_length_c                   8.8500
_cell_volume                     693.15
_cod_depositor_comments
;
 Replacing the _atom_type_symbol data name with the _atom_site_type_symbol
 data name in the ATOM_SITE loop.

 Antanas Vaitkus,
 2018-08-07
;
_cod_database_code               1100058
New refinements of the γ brass type structures Cu~5~Zn~8~, Cu~5~Cd~8~ and Fe~3~Zn~10~
Brandon, J. K.; Brizard, R. Y.; Chieh, P. C.; McMillan, R. K.; Pearson, W. B.; Acta Crystallographica Section B 30 (1974) 1412–1417; doi:10.1107/S0567740874004997

data_1100059
_publ_section_title
;
 New refinements of the \g brass type structures Cu~5~Zn~8~, Cu~5~Cd~8~
 and Fe~3~Zn~10~
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              1412
_journal_page_last               1417
_journal_paper_doi               10.1107/S0567740874004997
_journal_volume                  30
_journal_year                    1974
_chemical_formula_sum            'Cu5 Zn8'
_chemical_name_structure_type    Cu5Zn8
_space_group_IT_number           217
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      217
_symmetry_space_group_name_Hall  'I -4 2 3'
_symmetry_space_group_name_H-M   'I -4 3 m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.878
_cell_length_b                   8.878
_cell_length_c                   8.878
_cell_volume                     699.75
_cod_depositor_comments
;
 Replacing the _atom_type_symbol data name with the _atom_site_type_symbol
 data name in the ATOM_SITE loop.

 Antanas Vaitkus,
 2018-08-07
;
_cod_database_code               1100059
_cod_duplicate_entry 1100057
Synthesis,structure, and thermal stability of Li~3~AlB~2~O~6~
He, M; Chen, X; Gramlich, V; Baerlocher, Ch; Zhou, T; Hu, B; Journal of Solid State Chemistry 163 (2002) 369–376; doi:10.1006/jssc.2001.9364

data_1100060
_publ_section_title
;
Synthesis,structure, and thermal stability of Li~3~AlB~2~O~6~
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              369
_journal_page_last               376
_journal_paper_doi               10.1006/jssc.2001.9364
_journal_volume                  163
_journal_year                    2002
_chemical_formula_structural     'Li3 Al B2 O6'
_chemical_formula_sum            'Al B2 Li3 O6'
_chemical_name_systematic
;
Lithium Aluminium Boron Oxide (3/1/2/6)
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                74.46(18)
_cell_angle_beta                 89.44(17)
_cell_angle_gamma                89.52(18)
_cell_formula_units_Z            2
_cell_length_a                   4.876(8)
_cell_length_b                   6.191(16)
_cell_length_c                   7.910(20)
_cell_volume                     230.0(9)
_refine_ls_R_factor_all          0.07
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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 
;
_cod_database_code               1100060
Li~2~AlB~5~O~10~
He, M.; Li, H.; Chen, X.-L.; Xu, Y.-P.; Xu, T.; Acta Crystallographica, Section C: Crystal Structure Communications 57 (2001) 1010–1011; doi:10.1107/S0108270101006205

data_1100061
_publ_section_title
;
 Li~2~AlB~5~O~10~
;
_journal_issue                   9
_journal_name_full
;
 Acta Crystallographica, Section C: Crystal Structure Communications
;
_journal_page_first              1010
_journal_page_last               1011
_journal_paper_doi               10.1107/S0108270101006205
_journal_volume                  57
_journal_year                    2001
_chemical_formula_structural     'Li2 Al B5 O10'
_chemical_formula_sum            'Al B5 Li2 O10'
_chemical_name_systematic        'Lithium Aluminum Boron Oxide (2/1/5/10)'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.7020(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.0402(4)
_cell_length_b                   14.9404(8)
_cell_length_c                   7.0433(4)
_cell_volume                     740.78(7)
_refine_ls_R_factor_all          0.034
_cod_duplicate_entry             2012178
_cod_depositor_comments
;
 Changing the _atom_site_type_symbol data item value for atom
 'Al' from 'Li3+' to 'Al3+'.

 Antanas Vaitkus,
 2017-01-11

The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'Al Li2 B5 O10'
_cod_database_code               1100061
X-ray powder diffraction data and Rietveld refinement for a new iodate: (LiFe~1/3~)(IO~3~)~2~
Lan, Y; Chen, X; Tao, Z; Xie, A; Jiang, P; Xu, T; Xu, Y; Power Diffraction 17 (2002) 132–134; doi:10.1154/1.1460872

data_1100062
_publ_section_title
;
X-ray powder diffraction data and Rietveld refinement for a new iodate: 
(LiFe~1/3~)(IO~3~)~2~
;
_journal_name_full               'Power Diffraction'
_journal_page_first              132
_journal_page_last               134
_journal_paper_doi               10.1154/1.1460872
_journal_volume                  17
_journal_year                    2002
_chemical_formula_structural     'Li Fe0.333 I2 O6'
_chemical_formula_sum            'Fe0.333 I2 Li O6'
_chemical_name_systematic
;
Lithium Iron Iodate (1/0.3333/2/6)
;
_space_group_IT_number           173
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      173
_symmetry_space_group_name_Hall  'P 6c'
_symmetry_space_group_name_H-M   'P 63'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   5.4632(2)
_cell_length_b                   5.4632(2)
_cell_length_c                   5.0859(6)
_cell_volume                     131.5
_refine_ls_R_factor_all          0.07
_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 
;
_cod_database_code               1100062
Debye temperature of the MgCNi~3~ superconductor
Wei, Z; Chen, X; Che, G; Wang, F; Jiang, P; Li, W; He, M; Chin. Phys. Lett 19 (2002) 249–251; doi:10.1088/0256-307X/19/2/334

data_1100063
_publ_section_title
;
Debye temperature of the  MgCNi~3~ superconductor
;
_journal_name_full               'Chin. Phys. Lett'
_journal_page_first              249
_journal_page_last               251
_journal_paper_doi               10.1088/0256-307X/19/2/334
_journal_volume                  19
_journal_year                    2002
_chemical_formula_structural     'Mg C Ni3'
_chemical_formula_sum            'C Mg Ni3'
_chemical_name_systematic
;
Magnesium Carbon Nickel (1/1/3)
;
_space_group_IT_number           221
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      221
_symmetry_space_group_name_Hall  '-P 4 2 3'
_symmetry_space_group_name_H-M   'P m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.8089(1)
_cell_length_b                   3.8089(1)
_cell_length_c                   3.8089(1)
_cell_volume                     55.2584
_refine_ls_R_factor_all          0.09
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Cubic' changed to 'cubic' 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

    Adding symmetry operators
        -y,-z,x
        -y,z,-x
        y,-z,-x
        y,z,x
    to the symmetry operator list thus producing full set of symmetry
    operators of 'P m -3 m' symmetry space group. Moreover, old list of
    symmetry operators produced site multiplicities that did not divide
    multiplicity of a general position.

    Andrius Merkys
    2014-07-25

;
_cod_database_code               1100063