LMucko/crystallography-open-database huggingface dataset:
Octahedral tilting in Pb-based relaxor ferroelectrics at high pressure
Maier, Bernd J.; Angel, Ross J.; Marshall, William G.; Mihailova, Boriana; Paulmann, Carsten; Engel, Jens M.; Gospodinov, Marin; Welsch, Anna-Maria; Petrova, Dimitrina; Bismayer, Ulrich; Acta Crystallographica Section B 66 (2010) 280–291; doi:10.1107/S0108768110014631

data_2104721
_publ_section_title
;
 Octahedral tilting in Pb-based relaxor ferroelectrics at high pressure
;
_journal_coeditor_code           HW5008
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              280
_journal_page_last               291
_journal_paper_doi               10.1107/S0108768110014631
_journal_volume                  66
_journal_year                    2010
_chemical_formula_structural     'Pb Sc0.5 Ta0.5 O3'
_chemical_formula_sum            'O3 Pb Sc0.5 Ta0.5'
_chemical_formula_weight         368.15
_chemical_name_common            PST
_chemical_name_systematic        'Lead Scandium Tantalate'
_space_group_IT_number           167
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                120.0
_cell_formula_units_Z            6
_cell_length_a                   5.7275(5)
_cell_length_b                   5.7275
_cell_length_c                   14.024(3)
_cell_measurement_pressure       2630000
_cell_measurement_temperature    298
_cell_volume                     398.41(9)
_diffrn_ambient_temperature      298
_diffrn_measurement_device_type  'ISIS PEARL'
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           neutron
_pd_instr_location               'ISIS spallation source, England'
_pd_meas_scan_method             tof
_cod_data_source_file            hw5008.cif
_cod_data_source_block           PST_2.63GPa
_cod_depositor_comments
;
The following automatic conversions were performed:
'_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 (36
times).

'_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 (32 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        398.42(3)
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        'O3 Pb1 Sc0.5 Ta0.5'
_cod_database_code               2104721
Octahedral tilting in Pb-based relaxor ferroelectrics at high pressure
Maier, Bernd J.; Angel, Ross J.; Marshall, William G.; Mihailova, Boriana; Paulmann, Carsten; Engel, Jens M.; Gospodinov, Marin; Welsch, Anna-Maria; Petrova, Dimitrina; Bismayer, Ulrich; Acta Crystallographica Section B 66 (2010) 280–291; doi:10.1107/S0108768110014631

data_2104722
_publ_section_title
;
 Octahedral tilting in Pb-based relaxor ferroelectrics at high pressure
;
_journal_coeditor_code           HW5008
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              280
_journal_page_last               291
_journal_paper_doi               10.1107/S0108768110014631
_journal_volume                  66
_journal_year                    2010
_chemical_formula_structural     'Pb Sc0.5 Ta0.5 O3'
_chemical_formula_sum            'O3 Pb Sc0.5 Ta0.5'
_chemical_formula_weight         368.15
_chemical_name_common            PST
_chemical_name_systematic        'Lead Scandium Tantalate'
_space_group_IT_number           167
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                120.0
_cell_formula_units_Z            6
_cell_length_a                   5.7147(5)
_cell_length_b                   5.7147
_cell_length_c                   13.996(2)
_cell_measurement_pressure       3580000
_cell_measurement_temperature    298
_cell_volume                     395.84(7)
_diffrn_ambient_temperature      298
_diffrn_measurement_device_type  'ISIS PEARL'
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           neutron
_pd_instr_location               'ISIS spallation source, England'
_pd_meas_scan_method             tof
_cod_data_source_file            hw5008.cif
_cod_data_source_block           PST_3.58GPa
_cod_depositor_comments
;
The following automatic conversions were performed:
'_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 (36
times).

'_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 (32 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        395.84(3)
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        'O3 Pb1 Sc0.5 Ta0.5'
_cod_database_code               2104722
Octahedral tilting in Pb-based relaxor ferroelectrics at high pressure
Maier, Bernd J.; Angel, Ross J.; Marshall, William G.; Mihailova, Boriana; Paulmann, Carsten; Engel, Jens M.; Gospodinov, Marin; Welsch, Anna-Maria; Petrova, Dimitrina; Bismayer, Ulrich; Acta Crystallographica Section B 66 (2010) 280–291; doi:10.1107/S0108768110014631

data_2104723
_publ_section_title
;
 Octahedral tilting in Pb-based relaxor ferroelectrics at high pressure
;
_journal_coeditor_code           HW5008
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              280
_journal_page_last               291
_journal_paper_doi               10.1107/S0108768110014631
_journal_volume                  66
_journal_year                    2010
_chemical_formula_structural     'Pb Sc0.5 Ta0.5 O3'
_chemical_formula_sum            'O3 Pb Sc0.5 Ta0.5'
_chemical_formula_weight         368.15
_chemical_name_common            PST
_chemical_name_systematic        'Lead Scandium Tantalate'
_space_group_IT_number           167
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                120.0
_cell_formula_units_Z            6
_cell_length_a                   5.7002(5)
_cell_length_b                   5.7002
_cell_length_c                   13.935(2)
_cell_measurement_pressure       5100000
_cell_measurement_temperature    298
_cell_volume                     392.12(7)
_diffrn_ambient_temperature      298
_diffrn_measurement_device_type  'ISIS PEARL'
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           neutron
_pd_instr_location               'ISIS spallation source, England'
_pd_meas_scan_method             tof
_cod_data_source_file            hw5008.cif
_cod_data_source_block           PST_5.10GPa
_cod_depositor_comments
;
The following automatic conversions were performed:
'_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 (36
times).

'_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 (32 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        392.12(3)
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        'O3 Pb1 Sc0.5 Ta0.5'
_cod_database_code               2104723
Octahedral tilting in Pb-based relaxor ferroelectrics at high pressure
Maier, Bernd J.; Angel, Ross J.; Marshall, William G.; Mihailova, Boriana; Paulmann, Carsten; Engel, Jens M.; Gospodinov, Marin; Welsch, Anna-Maria; Petrova, Dimitrina; Bismayer, Ulrich; Acta Crystallographica Section B 66 (2010) 280–291; doi:10.1107/S0108768110014631

data_2104724
_publ_section_title
;
 Octahedral tilting in Pb-based relaxor ferroelectrics at high pressure
;
_journal_coeditor_code           HW5008
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              280
_journal_page_last               291
_journal_paper_doi               10.1107/S0108768110014631
_journal_volume                  66
_journal_year                    2010
_chemical_formula_structural     'Pb Sc0.5 Ta0.5 O3'
_chemical_formula_sum            'O3 Pb Sc0.5 Ta0.5'
_chemical_formula_weight         368.15
_chemical_name_common            PST
_chemical_name_systematic        'Lead Scandium Tantalate'
_space_group_IT_number           167
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                120.0
_cell_formula_units_Z            6
_cell_length_a                   5.7001(6)
_cell_length_b                   5.7001
_cell_length_c                   13.901(2)
_cell_measurement_pressure       5480000
_cell_measurement_temperature    298
_cell_volume                     391.15(7)
_diffrn_ambient_temperature      298
_diffrn_measurement_device_type  'ISIS PEARL'
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           neutron
_pd_instr_location               'ISIS spallation source, England'
_pd_meas_scan_method             tof
_cod_data_source_file            hw5008.cif
_cod_data_source_block           PST_5.48GPa
_cod_depositor_comments
;
The following automatic conversions were performed:
'_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 (36
times).

'_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 (28 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        391.13(6)
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        'O3 Pb1 Sc0.5 Ta0.5'
_cod_database_code               2104724
Octahedral tilting in Pb-based relaxor ferroelectrics at high pressure
Maier, Bernd J.; Angel, Ross J.; Marshall, William G.; Mihailova, Boriana; Paulmann, Carsten; Engel, Jens M.; Gospodinov, Marin; Welsch, Anna-Maria; Petrova, Dimitrina; Bismayer, Ulrich; Acta Crystallographica Section B 66 (2010) 280–291; doi:10.1107/S0108768110014631

data_2104725
_publ_section_title
;
 Octahedral tilting in Pb-based relaxor ferroelectrics at high pressure
;
_journal_coeditor_code           HW5008
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              280
_journal_page_last               291
_journal_paper_doi               10.1107/S0108768110014631
_journal_volume                  66
_journal_year                    2010
_chemical_formula_structural     'Pb Sc0.5 Ta0.5 O3'
_chemical_formula_sum            'O3 Pb Sc0.5 Ta0.5'
_chemical_formula_weight         368.15
_chemical_name_common            PST
_chemical_name_systematic        'Lead Scandium Tantalate'
_space_group_IT_number           167
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                120.0
_cell_formula_units_Z            6
_cell_length_a                   5.6828(3)
_cell_length_b                   5.68276
_cell_length_c                   13.8439(12)
_cell_measurement_pressure       7350000
_cell_measurement_temperature    298
_cell_volume                     387.18(4)
_diffrn_ambient_temperature      298
_diffrn_measurement_device_type  'ISIS PEARL'
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           neutron
_pd_instr_location               'ISIS spallation source, England'
_pd_meas_scan_method             tof
_cod_data_source_file            hw5008.cif
_cod_data_source_block           PST_7.35GPa
_cod_depositor_comments
;
The following automatic conversions were performed:
'_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 (43
times).

'_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 (28 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        'O3 Pb1 Sc0.5 Ta0.5'
_cod_database_code               2104725
Octahedral tilting in Pb-based relaxor ferroelectrics at high pressure
Maier, Bernd J.; Angel, Ross J.; Marshall, William G.; Mihailova, Boriana; Paulmann, Carsten; Engel, Jens M.; Gospodinov, Marin; Welsch, Anna-Maria; Petrova, Dimitrina; Bismayer, Ulrich; Acta Crystallographica Section B 66 (2010) 280–291; doi:10.1107/S0108768110014631

data_2104726
_publ_section_title
;
 Octahedral tilting in Pb-based relaxor ferroelectrics at high pressure
;
_journal_coeditor_code           HW5008
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              280
_journal_page_last               291
_journal_paper_doi               10.1107/S0108768110014631
_journal_volume                  66
_journal_year                    2010
_chemical_formula_structural     'Pb0.77 Ba0.23 Sc0.5 Ta0.5 O3'
_chemical_formula_sum            'Ba0.23 O3 Pb0.77 Sc0.5 Ta0.5'
_chemical_formula_weight         352.079
_chemical_name_common            PST-Ba
_chemical_name_systematic        'Ba-doped Lead Scandium Tantalate'
_space_group_IT_number           221
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-P 4 2 3'
_symmetry_space_group_name_H-M   'P m -3 m'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            1
_cell_length_a                   4.08373(9)
_cell_length_b                   4.08373
_cell_length_c                   4.08373
_cell_measurement_pressure       0
_cell_measurement_temperature    298
_cell_volume                     68.1038(15)
_diffrn_ambient_temperature      298
_diffrn_measurement_device_type  'ISIS PEARL'
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           neutron
_pd_instr_location               'ISIS spallation source, England'
_pd_meas_scan_method             tof
_cod_data_source_file            hw5008.cif
_cod_data_source_block           PST-Ba_0.00GPa
_cod_depositor_comments
;
The following automatic conversions were performed:
'_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 (94
times).

'_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 (48 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        68.104(4)
_cod_database_code               2104726
Octahedral tilting in Pb-based relaxor ferroelectrics at high pressure
Maier, Bernd J.; Angel, Ross J.; Marshall, William G.; Mihailova, Boriana; Paulmann, Carsten; Engel, Jens M.; Gospodinov, Marin; Welsch, Anna-Maria; Petrova, Dimitrina; Bismayer, Ulrich; Acta Crystallographica Section B 66 (2010) 280–291; doi:10.1107/S0108768110014631

data_2104727
_publ_section_title
;
 Octahedral tilting in Pb-based relaxor ferroelectrics at high pressure
;
_journal_coeditor_code           HW5008
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              280
_journal_page_last               291
_journal_paper_doi               10.1107/S0108768110014631
_journal_volume                  66
_journal_year                    2010
_chemical_formula_structural     'Pb0.77 Ba0.23 Sc0.5 Ta0.5 O3'
_chemical_formula_sum            'Ba0.23 O3 Pb0.77 Sc0.5 Ta0.5'
_chemical_formula_weight         352.079
_chemical_name_common            PST-Ba
_chemical_name_systematic        'Ba-doped Lead Scandium Tantalate'
_space_group_IT_number           221
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-P 4 2 3'
_symmetry_space_group_name_H-M   'P m -3 m'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            1
_cell_length_a                   4.08121(10)
_cell_length_b                   4.08121
_cell_length_c                   4.08121
_cell_measurement_pressure       170000
_cell_measurement_temperature    298
_cell_volume                     67.9778(17)
_diffrn_ambient_temperature      298
_diffrn_measurement_device_type  'ISIS PEARL'
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           neutron
_pd_instr_location               'ISIS spallation source, England'
_pd_meas_scan_method             tof
_cod_data_source_file            hw5008.cif
_cod_data_source_block           PST-Ba_0.17GPa
_cod_depositor_comments
;
The following automatic conversions were performed:
'_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 (94
times).

'_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 (48 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        67.978(5)
_cod_database_code               2104727
Octahedral tilting in Pb-based relaxor ferroelectrics at high pressure
Maier, Bernd J.; Angel, Ross J.; Marshall, William G.; Mihailova, Boriana; Paulmann, Carsten; Engel, Jens M.; Gospodinov, Marin; Welsch, Anna-Maria; Petrova, Dimitrina; Bismayer, Ulrich; Acta Crystallographica Section B 66 (2010) 280–291; doi:10.1107/S0108768110014631

data_2104728
_publ_section_title
;
 Octahedral tilting in Pb-based relaxor ferroelectrics at high pressure
;
_journal_coeditor_code           HW5008
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              280
_journal_page_last               291
_journal_paper_doi               10.1107/S0108768110014631
_journal_volume                  66
_journal_year                    2010
_chemical_formula_structural     'Pb0.77 Ba0.23 Sc0.5 Ta0.5 O3'
_chemical_formula_sum            'Ba0.23 O3 Pb0.77 Sc0.5 Ta0.5'
_chemical_formula_weight         352.079
_chemical_name_common            PST-Ba
_chemical_name_systematic        'Ba-doped Lead Scandium Tantalate'
_space_group_IT_number           221
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-P 4 2 3'
_symmetry_space_group_name_H-M   'P m -3 m'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            1
_cell_length_a                   4.07621(11)
_cell_length_b                   4.07621
_cell_length_c                   4.07621
_cell_measurement_pressure       590000
_cell_measurement_temperature    298
_cell_volume                     67.7282(18)
_diffrn_ambient_temperature      298
_diffrn_measurement_device_type  'ISIS PEARL'
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           neutron
_pd_instr_location               'ISIS spallation source, England'
_pd_meas_scan_method             tof
_cod_data_source_file            hw5008.cif
_cod_data_source_block           PST-Ba_0.59GPa
_cod_depositor_comments
;
The following automatic conversions were performed:
'_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 (94
times).

'_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 (48 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        67.728(5)
_cod_database_code               2104728
Octahedral tilting in Pb-based relaxor ferroelectrics at high pressure
Maier, Bernd J.; Angel, Ross J.; Marshall, William G.; Mihailova, Boriana; Paulmann, Carsten; Engel, Jens M.; Gospodinov, Marin; Welsch, Anna-Maria; Petrova, Dimitrina; Bismayer, Ulrich; Acta Crystallographica Section B 66 (2010) 280–291; doi:10.1107/S0108768110014631

data_2104729
_publ_section_title
;
 Octahedral tilting in Pb-based relaxor ferroelectrics at high pressure
;
_journal_coeditor_code           HW5008
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              280
_journal_page_last               291
_journal_paper_doi               10.1107/S0108768110014631
_journal_volume                  66
_journal_year                    2010
_chemical_formula_structural     'Pb0.77 Ba0.23 Sc0.5 Ta0.5 O3'
_chemical_formula_sum            'Ba0.23 O3 Pb0.77 Sc0.5 Ta0.5'
_chemical_formula_weight         352.079
_chemical_name_common            PST-Ba
_chemical_name_systematic        'Ba-doped Lead Scandium Tantalate'
_space_group_IT_number           221
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-P 4 2 3'
_symmetry_space_group_name_H-M   'P m -3 m'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            1
_cell_length_a                   4.07168(5)
_cell_length_b                   4.07168
_cell_length_c                   4.07168
_cell_measurement_pressure       980000
_cell_measurement_temperature    298
_cell_volume                     67.5027(8)
_diffrn_ambient_temperature      298
_diffrn_measurement_device_type  'ISIS PEARL'
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           neutron
_pd_instr_location               'ISIS spallation source, England'
_pd_meas_scan_method             tof
_cod_data_source_file            hw5008.cif
_cod_data_source_block           PST-Ba_0.98GPa
_cod_depositor_comments
;
The following automatic conversions were performed:
'_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 (94
times).

'_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 (48 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        67.503(2)
_cod_database_code               2104729