LMucko/crystallography-open-database huggingface dataset:
Neutron and electron diffraction studies of La(Zn~1/2~Ti~1/2~)O~3~ perovskite
R. Ubic; Y. Hu; I. Abrahams; Acta Crystallographica Section B 62 (2006) 521–529; doi:10.1107/S0108768106015527

data_2100561
_publ_section_title
;
 Neutron and electron diffraction studies of La(Zn~1/2~Ti~1/2~)O~3~
 perovskite
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              521
_journal_page_last               529
_journal_paper_doi               10.1107/S0108768106015527
_journal_volume                  62
_journal_year                    2006
_chemical_formula_moiety         'La (Zn0.5 Ti0.5) O3'
_chemical_formula_sum            'La O3 Ti0.5 Zn0.5'
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_audit_creation_method           Crystallographica
_cell_angle_alpha                90
_cell_angle_beta                 90.034
_cell_angle_gamma                90
_cell_length_a                   7.8950
_cell_length_b                   5.5964
_cell_length_c                   5.5809
_cell_volume                     246.584
_diffrn_radiation_type           Cu-ka1
_diffrn_radiation_wavelength     1.54056
_exptl_absorpt_coefficient_mu    1491.34
_exptl_crystal_density_diffrn    6.56009
_cod_data_source_file            ws5035.cif
_cod_data_source_block           LZT
_cod_depositor_comments
;
The original entry, ws5035.cif, contained the '_diffrn_radiation_type
Cu-ka1' and '_diffrn_radiation_wavelength 1.54056'; however, the paper
at http://journals.iucr.org/b/issues/2006/04/00/ws5035/index.html
describes the examination of the structure using electron and neutron
diffraction on powder; so does the title and the abstract. The
'Cu-ka1' and '1.54056' values thus seem wrong and unappropriate for
this entry. They were commented out before deposition into COD.

Saulius Gra\<zulis, 2008.02.14
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'La Zn0.5 Ti0.5 O3'
_cod_database_code               2100561
Hexamer formation in tertiary butyl alcohol (2-methyl-2-propanol, C4H10O)
P. A. McGregor; D. R. Allan; S. Parsons; S. J. Clark; Acta Crystallographica, Section B 62 (2006) 599–605; doi:10.1107/S0108768106015424

data_2100565
_publ_section_title
;
Hexamer formation in tertiary butyl alcohol (2-methyl-2-propanol,
C4H10O)
;
_journal_coeditor_code           WS5038
_journal_date_accepted           2006-04-27
_journal_date_recd_electronic    2005-10-27
_journal_issue                   4
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              599
_journal_page_last               605
_journal_paper_category          FA
_journal_paper_doi               10.1107/S0108768106015424
_journal_volume                  62
_journal_year                    2006
_chemical_formula_sum            'C4 H10 O'
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                85.248
_cell_angle_beta                 78.531
_cell_angle_gamma                75.800
_cell_length_a                   6.0631
_cell_length_b                   9.0661
_cell_length_c                   14.4494
_cell_volume                     754.136
_cod_data_source_file            ws5038.cif
_cod_database_code               2100565
Hexamer formation in tertiary butyl alcohol (2-methyl-2-propanol, C4H10O)
P. A. McGregor; D. R. Allan; S. Parsons; S. J. Clark; Acta Crystallographica, Section B 62 (2006) 599–605; doi:10.1107/S0108768106015424

data_2100566
_publ_section_title
;
Hexamer formation in tertiary butyl alcohol (2-methyl-2-propanol,
C4H10O)
;
_journal_coeditor_code           WS5038
_journal_date_accepted           2006-04-27
_journal_date_recd_electronic    2005-10-27
_journal_issue                   4
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              599
_journal_page_last               605
_journal_paper_category          FA
_journal_paper_doi               10.1107/S0108768106015424
_journal_volume                  62
_journal_year                    2006
_chemical_formula_sum            'C4 H10 O'
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                86.373
_cell_angle_beta                 78.776
_cell_angle_gamma                76.363
_cell_length_a                   6.2027
_cell_length_b                   9.1431
_cell_length_c                   14.7554
_cell_volume                     797.53
_cod_data_source_file            ws5038.cif
_cod_database_code               2100566
Hexamer formation in tertiary butyl alcohol (2-methyl-2-propanol, C4H10O)
P. A. McGregor; D. R. Allan; S. Parsons; S. J. Clark; Acta Crystallographica, Section B 62 (2006) 599–605; doi:10.1107/S0108768106015424

data_2100567
_publ_section_title
;
Hexamer formation in tertiary butyl alcohol (2-methyl-2-propanol,
C4H10O)
;
_journal_coeditor_code           WS5038
_journal_date_accepted           2006-04-27
_journal_date_recd_electronic    2005-10-27
_journal_issue                   4
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              599
_journal_page_last               605
_journal_paper_category          FA
_journal_paper_doi               10.1107/S0108768106015424
_journal_volume                  62
_journal_year                    2006
_chemical_formula_sum            'C4 H10 O'
_space_group_IT_number           147
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-P 3'
_symmetry_space_group_name_H-M   'P -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   17.4389
_cell_length_b                   17.4389
_cell_length_c                   8.0210
_cell_volume                     2112.5
_cod_data_source_file            ws5038.cif
_cod_database_code               2100567
Hexamer formation in tertiary butyl alcohol (2-methyl-2-propanol, C4H10O)
P. A. McGregor; D. R. Allan; S. Parsons; S. J. Clark; Acta Crystallographica, Section B 62 (2006) 599–605; doi:10.1107/S0108768106015424

data_2100568
_publ_section_title
;
Hexamer formation in tertiary butyl alcohol (2-methyl-2-propanol,
C4H10O)
;
_journal_coeditor_code           WS5038
_journal_date_accepted           2006-04-27
_journal_date_recd_electronic    2005-10-27
_journal_issue                   4
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              599
_journal_page_last               605
_journal_paper_category          FA
_journal_paper_doi               10.1107/S0108768106015424
_journal_volume                  62
_journal_year                    2006
_chemical_formula_sum            'C4 H10 O'
_space_group_IT_number           147
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-P 3'
_symmetry_space_group_name_H-M   'P -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   17.5898
_cell_length_b                   17.5898
_cell_length_c                   8.1014
_cell_volume                     2170.76
_cod_data_source_file            ws5038.cif
_cod_database_code               2100568
Structures and phase transitions in the ordered double perovskites Ba~2~Bi^III^Bi^V^O~6~ and Ba~2~Bi^III^Sb^V^O~6~
Kennedy, Brendan J.; Howard, Christopher J.; Knight, Kevin S.; Zhang, Zhaoming; Zhou, Qingdi; Acta Crystallographica Section B 62 (2006) 537–546; doi:10.1107/S0108768106018842

data_2100569
_publ_section_title
;
 Structures and phase transitions in the ordered double perovskites
 Ba~2~Bi^III^Bi^V^O~6~ and Ba~2~Bi^III^Sb^V^O~6~
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              537
_journal_page_last               546
_journal_paper_doi               10.1107/S0108768106018842
_journal_volume                  62
_journal_year                    2006
_chemical_formula_sum            'Ba Bi O3'
_chemical_formula_weight         394.31
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.2691(6)
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   6.17410(7)
_cell_length_b                   6.12484(7)
_cell_length_c                   8.65220(9)
_cell_volume                     327.183(6)
_cod_data_source_file            ws5040.cif
_cod_data_source_block           BABIO3_4K_phase_1
_cod_depositor_comments
;
The following automatic conversions were performed:
'_geom_bond_publ_flag' value 'N' changed to 'n' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (72
times).

'_geom_angle_publ_flag' value 'N' changed to 'n' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (390 times).

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

The following automatic conversions were performed:

'_geom_bond_publ_flag' value 'N' changed to 'n' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (72
times).

'_geom_angle_publ_flag' value 'N' changed to 'n' according
to /home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary
named 'cif_core.dic' version 2.4.1 from 2010-06-29 (390 times).

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        327.182(9)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2100569
Structures and phase transitions in the ordered double perovskites Ba~2~Bi^III^Bi^V^O~6~ and Ba~2~Bi^III^Sb^V^O~6~
Kennedy, Brendan J.; Howard, Christopher J.; Knight, Kevin S.; Zhang, Zhaoming; Zhou, Qingdi; Acta Crystallographica Section B 62 (2006) 537–546; doi:10.1107/S0108768106018842

data_2100570
_publ_section_title
;
 Structures and phase transitions in the ordered double perovskites
 Ba~2~Bi^III^Bi^V^O~6~ and Ba~2~Bi^III^Sb^V^O~6~
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              537
_journal_page_last               546
_journal_paper_doi               10.1107/S0108768106018842
_journal_volume                  62
_journal_year                    2006
_chemical_formula_sum            'Ba Bi O3'
_chemical_formula_weight         394.31
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-I 2y'
_symmetry_space_group_name_H-M   'I 1 2/m 1'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.2288(6)
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   6.18505(7)
_cell_length_b                   6.13219(7)
_cell_length_c                   8.65846(10)
_cell_volume                     328.395(7)
_cod_data_source_file            ws5040.cif
_cod_data_source_block           BABIO3_200K_phase_1
_cod_depositor_comments
;
The following automatic conversions were performed:
'_geom_bond_publ_flag' value 'N' changed to 'n' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (66
times).

'_geom_angle_publ_flag' value 'N' changed to 'n' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (408 times).

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

The following automatic conversions were performed:

'_geom_bond_publ_flag' value 'N' changed to 'n' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (66
times).

'_geom_angle_publ_flag' value 'N' changed to 'n' according
to /home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary
named 'cif_core.dic' version 2.4.1 from 2010-06-29 (408 times).

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        328.395(10)
_cod_original_sg_symbol_H-M      'I 2/m'
_cod_database_code               2100570
Structures and phase transitions in the ordered double perovskites Ba~2~Bi^III^Bi^V^O~6~ and Ba~2~Bi^III^Sb^V^O~6~
Kennedy, Brendan J.; Howard, Christopher J.; Knight, Kevin S.; Zhang, Zhaoming; Zhou, Qingdi; Acta Crystallographica Section B 62 (2006) 537–546; doi:10.1107/S0108768106018842

data_2100571
_publ_section_title
;
 Structures and phase transitions in the ordered double perovskites
 Ba~2~Bi^III^Bi^V^O~6~ and Ba~2~Bi^III^Sb^V^O~6~
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              537
_journal_page_last               546
_journal_paper_doi               10.1107/S0108768106018842
_journal_volume                  62
_journal_year                    2006
_chemical_formula_sum            'Ba Bi O3'
_chemical_formula_weight         394.31
_space_group_IT_number           148
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                120.0
_cell_formula_units_Z            6
_cell_length_a                   6.17944(13)
_cell_length_b                   6.17944
_cell_length_c                   15.0393(3)
_cell_volume                     497.344(14)
_cod_data_source_file            ws5040.cif
_cod_data_source_block           BABIO3_498K_phase_1
_cod_depositor_comments
;
The following automatic conversions were performed:
'_geom_bond_publ_flag' value 'N' changed to 'n' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (60
times).

'_geom_angle_publ_flag' value 'N' changed to 'n' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (378 times).

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

The following automatic conversions were performed:

'_geom_bond_publ_flag' value 'N' changed to 'n' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (60
times).

'_geom_angle_publ_flag' value 'N' changed to 'n' according
to /home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary
named 'cif_core.dic' version 2.4.1 from 2010-06-29 (378 times).

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        497.34(3)
_cod_original_sg_symbol_H-M      'R -3'
_cod_database_code               2100571
Structures and phase transitions in the ordered double perovskites Ba~2~Bi^III^Bi^V^O~6~ and Ba~2~Bi^III^Sb^V^O~6~
Kennedy, Brendan J.; Howard, Christopher J.; Knight, Kevin S.; Zhang, Zhaoming; Zhou, Qingdi; Acta Crystallographica Section B 62 (2006) 537–546; doi:10.1107/S0108768106018842

data_2100572
_publ_section_title
;
 Structures and phase transitions in the ordered double perovskites
 Ba~2~Bi^III^Bi^V^O~6~ and Ba~2~Bi^III^Sb^V^O~6~
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              537
_journal_page_last               546
_journal_paper_doi               10.1107/S0108768106018842
_journal_volume                  62
_journal_year                    2006
_chemical_formula_sum            'Ba Bi O3'
_chemical_formula_weight         394.31
_space_group_IT_number           225
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            8
_cell_length_a                   8.77586(15)
_cell_length_b                   8.77586
_cell_length_c                   8.77586
_cell_volume                     675.879(12)
_cod_data_source_file            ws5040.cif
_cod_data_source_block           BABIO3_893K_phase_1
_cod_depositor_comments
;
The following automatic conversions were performed:
'_geom_bond_publ_flag' value 'N' changed to 'n' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (60
times).

'_geom_angle_publ_flag' value 'N' changed to 'n' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (497 times).

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

The following automatic conversions were performed:

'_geom_bond_publ_flag' value 'N' changed to 'n' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (60
times).

'_geom_angle_publ_flag' value 'N' changed to 'n' according
to /home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary
named 'cif_core.dic' version 2.4.1 from 2010-06-29 (497 times).

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        675.88(4)
_cod_database_code               2100572
Structures and phase transitions in the ordered double perovskites Ba~2~Bi^III^Bi^V^O~6~ and Ba~2~Bi^III^Sb^V^O~6~
Kennedy, Brendan J.; Howard, Christopher J.; Knight, Kevin S.; Zhang, Zhaoming; Zhou, Qingdi; Acta Crystallographica Section B 62 (2006) 537–546; doi:10.1107/S0108768106018842

data_2100573
_publ_section_title
;
 Structures and phase transitions in the ordered double perovskites
 Ba~2~Bi^III^Bi^V^O~6~ and Ba~2~Bi^III^Sb^V^O~6~
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              537
_journal_page_last               546
_journal_paper_doi               10.1107/S0108768106018842
_journal_volume                  62
_journal_year                    2006
_chemical_formula_sum            'Ba2 Bi O6 Sb'
_chemical_formula_weight         701.38
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-I 2y'
_symmetry_space_group_name_H-M   'I 1 2/m 1'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.2161(10)
_cell_angle_gamma                90.0
_cell_formula_units_Z            2
_cell_length_a                   6.06777(12)
_cell_length_b                   6.01862(11)
_cell_length_c                   8.50818(16)
_cell_volume                     310.713(10)
_cod_data_source_file            ws5040.cif
_cod_data_source_block           BA2BISBO6_4K_phase_1
_cod_depositor_comments
;
The following automatic conversions were performed:
'_geom_bond_publ_flag' value 'N' changed to 'n' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (66
times).

'_geom_angle_publ_flag' value 'N' changed to 'n' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (408 times).

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

The following automatic conversions were performed:

'_geom_bond_publ_flag' value 'N' changed to 'n' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (66
times).

'_geom_angle_publ_flag' value 'N' changed to 'n' according
to /home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary
named 'cif_core.dic' version 2.4.1 from 2010-06-29 (408 times).

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        310.713(16)
_cod_original_sg_symbol_H-M      'I 2/m'
_cod_database_code               2100573
Structures and phase transitions in the ordered double perovskites Ba~2~Bi^III^Bi^V^O~6~ and Ba~2~Bi^III^Sb^V^O~6~
Kennedy, Brendan J.; Howard, Christopher J.; Knight, Kevin S.; Zhang, Zhaoming; Zhou, Qingdi; Acta Crystallographica Section B 62 (2006) 537–546; doi:10.1107/S0108768106018842

data_2100574
_publ_section_title
;
 Structures and phase transitions in the ordered double perovskites
 Ba~2~Bi^III^Bi^V^O~6~ and Ba~2~Bi^III^Sb^V^O~6~
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              537
_journal_page_last               546
_journal_paper_doi               10.1107/S0108768106018842
_journal_volume                  62
_journal_year                    2006
_chemical_formula_sum            'Ba2 Bi O6 Sb'
_chemical_formula_weight         701.38
_space_group_IT_number           148
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                120.0
_cell_formula_units_Z            3
_cell_length_a                   6.05716(8)
_cell_length_b                   6.05716
_cell_length_c                   14.7813(2)
_cell_volume                     469.658(9)
_cod_data_source_file            ws5040.cif
_cod_data_source_block           BA2BISBO6_325K_phase_1
_cod_depositor_comments
;
The following automatic conversions were performed:
'_geom_bond_publ_flag' value 'N' changed to 'n' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (60
times).

'_geom_angle_publ_flag' value 'N' changed to 'n' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (445 times).

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

The following automatic conversions were performed:

'_geom_bond_publ_flag' value 'N' changed to 'n' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (60
times).

'_geom_angle_publ_flag' value 'N' changed to 'n' according
to /home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary
named 'cif_core.dic' version 2.4.1 from 2010-06-29 (445 times).

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        469.658(17)
_cod_original_sg_symbol_H-M      'R -3'
_cod_database_code               2100574