LMucko/crystallography-open-database huggingface dataset:
Crystal structures of stable and metastable Ge~2~Bi~2~Te~5~, an intermetallic compound in a GeTe-Bi~2~Te~3~ pseudobinary system
Matsunaga, Toshiyuki; Kojima, Rie; Yamada, Noboru; Kifune, Kouichi; Kubota, Yoshiki; Takata, Masaki; Acta Crystallographica, Section B 63 (2007) 346–352; doi:10.1107/S0108768107000778

data_2102850
_publ_section_title
;
Crystal structures of stable and metastable Ge~2~Bi~2~Te~5~, an intermetallic
compound in a GeTe-Bi~2~Te~3~ pseudobinary system
;
_journal_coeditor_code           SO5005
_journal_date_accepted           2007-01-08
_journal_date_recd_electronic    2006-07-19
_journal_issue                   2
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              346
_journal_page_last               352
_journal_paper_category          FA
_journal_paper_doi               10.1107/S0108768107000778
_journal_volume                  63
_journal_year                    2007
_chemical_formula_sum            'Bi2 Ge2 Te5'
_chemical_formula_weight         1201.04
_space_group_IT_number           164
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   4.30040(13)
_cell_length_b                   4.30040
_cell_length_c                   17.3659(6)
_cell_measurement_temperature    293
_cell_volume                     278.13(2)
_computing_cell_refinement       'Rietan (Izumi, F. & Ikeda, T., 2000)'
_computing_data_reduction        Rietan
_computing_structure_refinement  Rietan
_computing_structure_solution    Rietan
_diffrn_ambient_temperature      87
_diffrn_measurement_device_type  'Debye-Scherrer camera'
_diffrn_radiation_monochromator
'vertical focusing mirror + Si (111) double monochromator'
_diffrn_radiation_wavelength     0.42206
_exptl_absorpt_coefficient_mu    11.85
_exptl_crystal_density_diffrn    7.17
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.73
_refine_ls_number_parameters     36
_refine_ls_structure_factor_coef Inet
_refine_ls_weighting_scheme      sigma
_cod_data_source_file            so5005.cif
_cod_original_formula_sum        'Ge2 Bi2 Te5'
_cod_database_code               2102850
Synthesis, structure, and stability of the high-temperature 6H-type perovskite phase Ba~3~BaSb~2~O~9~
Ling, Chris D.; Avdeev, Maxim; Aivazian, Karina; Acta Crystallographica Section B 63 (2007) 584–588; doi:10.1107/S0108768107019441

data_2102872
_publ_section_title
;
 Synthesis, structure, and stability of the high-temperature 6H-type
 perovskite phase Ba~3~BaSb~2~O~9~
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              584
_journal_page_last               588
_journal_paper_doi               10.1107/S0108768107019441
_journal_volume                  63
_journal_year                    2007
_chemical_formula_sum            'Ba4 O9 Sb2'
_chemical_formula_weight         936.81
_chemical_name_systematic        ' ?'
_space_group_IT_number           194
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                120.0
_cell_formula_units_Z            2
_cell_length_a                   6.18123(8)
_cell_length_b                   6.18123
_cell_length_c                   15.9900(3)
_cell_volume                     529.089(12)
_cod_data_source_file            av5086.cif
_cod_data_source_block           BA4SB2O9_750C_FINAL_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 (83
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 (504 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 (83
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 (504 times).

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        529.088(19)
_cod_original_sg_symbol_H-M      P63/MMC
_cod_database_code               2102872
Atomic displacements in BiFeO~3~ as a function of temperature: neutron diffraction study
Palewicz, Andrzej; Przenioslo, Radoslaw; Sosnowska, Izabela; Hewat, Alan; Acta Crystallographica Section B 63 (2007) 537–544; doi:10.1107/S0108768107023956

data_2102909
_publ_section_title
;
 Atomic displacements in BiFeO~3~ as a function of temperature: neutron
 diffraction study
;
_journal_coeditor_code           CK5024
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              537
_journal_page_last               544
_journal_paper_doi               10.1107/S0108768107023956
_journal_volume                  63
_journal_year                    2007
_chemical_formula_structural     BiFeO3
_chemical_formula_sum            'Bi Fe O3'
_chemical_name_systematic        'Bismuth ferrite'
_space_group_IT_number           161
_symmetry_cell_setting           rhombohedral
_symmetry_space_group_name_Hall  'R 3 -2"c'
_symmetry_space_group_name_H-M   'R 3 c :H'
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                120.00000
_cell_formula_units_Z            6
_cell_length_a                   5.57882(5)
_cell_length_b                   5.57882(5)
_cell_length_c                   13.86932(16)
_cell_measurement_temperature    298
_cell_volume                     373.827(6)
_computing_structure_refinement  FULLPROF
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           'Constant Wavelength Neutron Diffraction'
_diffrn_radiation_wavelength     1.59440
_refine_ls_number_parameters     47
_refine_ls_number_reflns         84
_refine_ls_number_restraints     0
_cod_data_source_file            ck5024.cif
_cod_data_source_block           BiFeO3_298K
_cod_depositor_comments
;
 Adding the _cell_formula_units_Z and _chemical_formula_sum data items
 after consulting the original publication.

 Antanas Vaitkus,
 2017-08-07

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_cell_volume        373.827(7)
_cod_original_sg_symbol_H-M      'R 3 C'
_cod_database_code               2102909
Atomic displacements in BiFeO~3~ as a function of temperature: neutron diffraction study
Palewicz, Andrzej; Przenioslo, Radoslaw; Sosnowska, Izabela; Hewat, Alan; Acta Crystallographica Section B 63 (2007) 537–544; doi:10.1107/S0108768107023956

data_2102910
_publ_section_title
;
 Atomic displacements in BiFeO~3~ as a function of temperature: neutron
 diffraction study
;
_journal_coeditor_code           CK5024
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              537
_journal_page_last               544
_journal_paper_doi               10.1107/S0108768107023956
_journal_volume                  63
_journal_year                    2007
_chemical_formula_structural     BiFeO3
_chemical_formula_sum            'Bi Fe O3'
_chemical_name_systematic        'Bismuth ferrite'
_space_group_IT_number           161
_symmetry_cell_setting           rhombohedral
_symmetry_space_group_name_Hall  'R 3 -2"c'
_symmetry_space_group_name_H-M   'R 3 c :H'
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                120.00000
_cell_formula_units_Z            6
_cell_length_a                   5.58829(5)
_cell_length_b                   5.58829(5)
_cell_length_c                   13.90400(17)
_cell_measurement_temperature    473
_cell_volume                     376.035(7)
_computing_structure_refinement  FULLPROF
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           'Constant Wavelength Neutron Diffraction'
_diffrn_radiation_wavelength     1.59440
_refine_ls_number_parameters     47
_refine_ls_number_reflns         85
_refine_ls_number_restraints     0
_cod_data_source_file            ck5024.cif
_cod_data_source_block           BiFeO3_473K
_cod_depositor_comments
;
 Adding the _cell_formula_units_Z and _chemical_formula_sum data items
 after consulting the original publication.

 Antanas Vaitkus,
 2017-08-07

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_cell_volume        376.036(7)
_cod_original_sg_symbol_H-M      'R 3 C'
_cod_database_code               2102910
Atomic displacements in BiFeO~3~ as a function of temperature: neutron diffraction study
Palewicz, Andrzej; Przenioslo, Radoslaw; Sosnowska, Izabela; Hewat, Alan; Acta Crystallographica Section B 63 (2007) 537–544; doi:10.1107/S0108768107023956

data_2102911
_publ_section_title
;
 Atomic displacements in BiFeO~3~ as a function of temperature: neutron
 diffraction study
;
_journal_coeditor_code           CK5024
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              537
_journal_page_last               544
_journal_paper_doi               10.1107/S0108768107023956
_journal_volume                  63
_journal_year                    2007
_chemical_formula_structural     BiFeO3
_chemical_formula_sum            'Bi Fe O3'
_chemical_name_systematic        ' Bismuth ferrite'
_space_group_IT_number           161
_symmetry_cell_setting           rhombohedral
_symmetry_space_group_name_Hall  'R 3 -2"c'
_symmetry_space_group_name_H-M   'R 3 c :H'
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                120.00000
_cell_formula_units_Z            6
_cell_length_a                   5.58986(5)
_cell_length_b                   5.58986(5)
_cell_length_c                   13.90943(17)
_cell_measurement_temperature    503
_cell_volume                     376.393(7)
_computing_structure_refinement  FULLPROF
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           'Constant Wavelength Neutron Diffraction'
_diffrn_radiation_wavelength     1.59440
_refine_ls_number_parameters     47
_refine_ls_number_reflns         85
_refine_ls_number_restraints     0
_cod_data_source_file            ck5024.cif
_cod_data_source_block           BiFeO3_503K
_cod_depositor_comments
;
 Adding the _cell_formula_units_Z and _chemical_formula_sum data items
 after consulting the original publication.

 Antanas Vaitkus,
 2017-08-07

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      'R 3 C'
_cod_database_code               2102911
Atomic displacements in BiFeO~3~ as a function of temperature: neutron diffraction study
Palewicz, Andrzej; Przenioslo, Radoslaw; Sosnowska, Izabela; Hewat, Alan; Acta Crystallographica Section B 63 (2007) 537–544; doi:10.1107/S0108768107023956

data_2102912
_publ_section_title
;
 Atomic displacements in BiFeO~3~ as a function of temperature: neutron
 diffraction study
;
_journal_coeditor_code           CK5024
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              537
_journal_page_last               544
_journal_paper_doi               10.1107/S0108768107023956
_journal_volume                  63
_journal_year                    2007
_chemical_formula_structural     BiFeO3
_chemical_formula_sum            'Bi Fe O3'
_chemical_name_systematic        ' Bismuth ferrite'
_space_group_IT_number           161
_symmetry_cell_setting           rhombohedral
_symmetry_space_group_name_Hall  'R 3 -2"c'
_symmetry_space_group_name_H-M   'R 3 c :H'
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                120.00000
_cell_formula_units_Z            6
_cell_length_a                   5.59227(5)
_cell_length_b                   5.59227(5)
_cell_length_c                   13.91782(17)
_cell_measurement_temperature    543
_cell_volume                     376.945(7)
_computing_structure_refinement  FULLPROF
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           'Constant Wavelength Neutron Diffraction'
_diffrn_radiation_wavelength     1.59440
_refine_ls_number_parameters     47
_refine_ls_number_reflns         85
_refine_ls_number_restraints     0
_cod_data_source_file            ck5024.cif
_cod_data_source_block           BiFeO3_543K
_cod_depositor_comments
;
 Adding the _cell_formula_units_Z and _chemical_formula_sum data items
 after consulting the original publication.

 Antanas Vaitkus,
 2017-08-07

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_cell_volume        376.946(7)
_cod_original_sg_symbol_H-M      'R 3 C'
_cod_database_code               2102912
Atomic displacements in BiFeO~3~ as a function of temperature: neutron diffraction study
Palewicz, Andrzej; Przenioslo, Radoslaw; Sosnowska, Izabela; Hewat, Alan; Acta Crystallographica Section B 63 (2007) 537–544; doi:10.1107/S0108768107023956

data_2102913
_publ_section_title
;
 Atomic displacements in BiFeO~3~ as a function of temperature: neutron
 diffraction study
;
_journal_coeditor_code           CK5024
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              537
_journal_page_last               544
_journal_paper_doi               10.1107/S0108768107023956
_journal_volume                  63
_journal_year                    2007
_chemical_formula_structural     BiFeO3
_chemical_formula_sum            'Bi Fe O3'
_chemical_name_systematic        ' Bismuth ferrite'
_space_group_IT_number           161
_symmetry_cell_setting           rhombohedral
_symmetry_space_group_name_Hall  'R 3 -2"c'
_symmetry_space_group_name_H-M   'R 3 c :H'
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                120.00000
_cell_formula_units_Z            6
_cell_length_a                   5.59771(6)
_cell_length_b                   5.59771(6)
_cell_length_c                   13.93538(18)
_cell_measurement_temperature    623
_cell_volume                     378.155(8)
_computing_structure_refinement  FULLPROF
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           'Constant Wavelength Neutron Diffraction'
_diffrn_radiation_wavelength     1.59440
_refine_ls_number_parameters     47
_refine_ls_number_reflns         85
_refine_ls_number_restraints     0
_cod_data_source_file            ck5024.cif
_cod_data_source_block           BiFeO3_623K
_cod_depositor_comments
;
 Adding the _cell_formula_units_Z and _chemical_formula_sum data items
 after consulting the original publication.

 Antanas Vaitkus,
 2017-08-07

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_cell_volume        378.156(7)
_cod_original_sg_symbol_H-M      'R 3 C'
_cod_database_code               2102913
Atomic displacements in BiFeO~3~ as a function of temperature: neutron diffraction study
Palewicz, Andrzej; Przenioslo, Radoslaw; Sosnowska, Izabela; Hewat, Alan; Acta Crystallographica Section B 63 (2007) 537–544; doi:10.1107/S0108768107023956

data_2102914
_publ_section_title
;
 Atomic displacements in BiFeO~3~ as a function of temperature: neutron
 diffraction study
;
_journal_coeditor_code           CK5024
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              537
_journal_page_last               544
_journal_paper_doi               10.1107/S0108768107023956
_journal_volume                  63
_journal_year                    2007
_chemical_formula_structural     BiFeO3
_chemical_formula_sum            'Bi Fe O3'
_chemical_name_systematic        ' Bismuth ferrite'
_space_group_IT_number           161
_symmetry_cell_setting           rhombohedral
_symmetry_space_group_name_Hall  'R 3 -2"c'
_symmetry_space_group_name_H-M   'R 3 c :H'
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                120.00000
_cell_formula_units_Z            6
_cell_length_a                   5.59922(6)
_cell_length_b                   5.59922(6)
_cell_length_c                   13.94046(18)
_cell_measurement_temperature    643
_cell_volume                     378.497(8)
_computing_structure_refinement  FULLPROF
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           'Constant Wavelength Neutron Diffraction'
_diffrn_radiation_wavelength     1.59440
_refine_ls_number_parameters     47
_refine_ls_number_reflns         85
_refine_ls_number_restraints     0
_cod_data_source_file            ck5024.cif
_cod_data_source_block           BiFeO3_643K
_cod_depositor_comments
;
 Adding the _cell_formula_units_Z and _chemical_formula_sum data items
 after consulting the original publication.

 Antanas Vaitkus,
 2017-08-07

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_cell_volume        378.497(7)
_cod_original_sg_symbol_H-M      'R 3 C'
_cod_database_code               2102914
Atomic displacements in BiFeO~3~ as a function of temperature: neutron diffraction study
Palewicz, Andrzej; Przenioslo, Radoslaw; Sosnowska, Izabela; Hewat, Alan; Acta Crystallographica Section B 63 (2007) 537–544; doi:10.1107/S0108768107023956

data_2102915
_publ_section_title
;
 Atomic displacements in BiFeO~3~ as a function of temperature: neutron
 diffraction study
;
_journal_coeditor_code           CK5024
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              537
_journal_page_last               544
_journal_paper_doi               10.1107/S0108768107023956
_journal_volume                  63
_journal_year                    2007
_chemical_formula_structural     BiFeO3
_chemical_formula_sum            'Bi Fe O3'
_chemical_name_systematic        ' Bismuth ferrite'
_space_group_IT_number           161
_symmetry_cell_setting           rhombohedral
_symmetry_space_group_name_Hall  'R 3 -2"c'
_symmetry_space_group_name_H-M   'R 3 c :H'
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                120.00000
_cell_formula_units_Z            6
_cell_length_a                   5.60065(6)
_cell_length_b                   5.60065(6)
_cell_length_c                   13.94476(18)
_cell_measurement_temperature    663
_cell_volume                     378.807(8)
_computing_structure_refinement  FULLPROF
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           'Constant Wavelength Neutron Diffraction'
_diffrn_radiation_wavelength     1.59440
_refine_ls_number_parameters     47
_refine_ls_number_reflns         85
_refine_ls_number_restraints     0
_cod_data_source_file            ck5024.cif
_cod_data_source_block           BiFeO3_663K
_cod_depositor_comments
;

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

 Antanas Vaitkus,
 2017-08-07

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_cell_volume        378.807(7)
_cod_original_sg_symbol_H-M      'R 3 C'
_cod_database_code               2102915