LMucko/crystallography-open-database huggingface dataset:
The crystal structure of perdeuterated methanol hemiammoniate (CD~3~OD·0.5ND~3~) determined from neutron powder diffraction data at 4.2 and 180K
Fortes, A. D.; Wood, I. G.; Knight, K. S.; Journal of Applied Crystallography 43 (2010) 328–336; doi:10.1107/S0021889810005595

data_2300268
_publ_section_title
;
 The crystal structure of perdeuterated methanol hemiammoniate
 (CD~3~OD&#x00B7;0.5ND~3~) determined from neutron powder diffraction
 data at 4.2 and 180K
;
_journal_issue                   2
_journal_name_full               'Journal of Applied Crystallography'
_journal_page_first              328
_journal_page_last               336
_journal_paper_doi               10.1107/S0021889810005595
_journal_volume                  43
_journal_year                    2010
_chemical_formula_sum            'C D7 N O'
_chemical_formula_weight         56.11
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            8
_cell_length_a                   11.20962(25)
_cell_length_b                   7.74564(24)
_cell_length_c                   7.67810(22)
_cell_volume                     666.66(3)
_pd_block_id
2009-09-02T21:50|METHANOL_HEMIAMMONIA_phase1|Fortes||
_pd_phase_name                   'methanol monoammoniate d7'
_cod_data_source_file            db5076.cif
_cod_data_source_block           METHANOL_HEMIAMMONIA_phase_1_180
_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 (10
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 (38 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        666.656(21)
_cod_database_code               2300268
The crystal structure of perdeuterated methanol hemiammoniate (CD~3~OD·0.5ND~3~) determined from neutron powder diffraction data at 4.2 and 180K
Fortes, A. D.; Wood, I. G.; Knight, K. S.; Journal of Applied Crystallography 43 (2010) 328–336; doi:10.1107/S0021889810005595

data_2300269
_publ_section_title
;
 The crystal structure of perdeuterated methanol hemiammoniate
 (CD~3~OD&#x00B7;0.5ND~3~) determined from neutron powder diffraction
 data at 4.2 and 180K
;
_journal_issue                   2
_journal_name_full               'Journal of Applied Crystallography'
_journal_page_first              328
_journal_page_last               336
_journal_paper_doi               10.1107/S0021889810005595
_journal_volume                  43
_journal_year                    2010
_chemical_formula_sum            'C2 D11 N O2'
_chemical_formula_weight         92.18
_chemical_name_systematic        ' ?'
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P -2ac -2n'
_symmetry_space_group_name_H-M   'P n 21 a'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   12.90413(16)
_cell_length_b                   8.96975(8)
_cell_length_c                   4.79198(4)
_cell_volume                     554.656(10)
_pd_block_id
2009-09-02T21:50|METHANOL_HEMIAMMONIA_phase2|Fortes||
_pd_phase_name                   'methanol hemiammoniate'
_cod_data_source_file            db5076.cif
_cod_data_source_block           METHANOL_HEMIAMMONIA_phase_2_180
_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 (83
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 (124 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        554.656(7)
_cod_original_formula_sum        'C2 D11.00 N O2'
_cod_database_code               2300269
Crystal structure of cobalt-substituted calcium hydroxyapatite nanopowders prepared by hydrothermal processing
Veselinović, Ljiljana; Karanović, Ljiljana; Stojanović, Zoran; Bračko, Ines; Marković, Smilja; Ignjatović, Nenad; Uskoković, Dragan; Journal of Applied Crystallography 43 (2010) 320–327; doi:10.1107/S0021889809051395

data_2300273
_publ_section_title
;
 Crystal structure of cobalt-substituted calcium hydroxyapatite
 nanopowders prepared by hydrothermal processing
;
_journal_coeditor_code           KS5226
_journal_issue                   2
_journal_name_full               'Journal of Applied Crystallography'
_journal_page_first              320
_journal_page_last               327
_journal_paper_doi               10.1107/S0021889809051395
_journal_volume                  43
_journal_year                    2010
_chemical_formula_structural     'Ca10(P O4)6(O H)2'
_chemical_formula_sum            'Ca5 H O13 P3'
_chemical_name_common            'Calcium Tris(phosphate(V)) Hydroxide'
_chemical_name_systematic
;
 hydroxyapatite
;
_space_group_IT_number           176
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            2
_cell_length_a                   9.42100(10)
_cell_length_b                   9.42100(10)
_cell_length_c                   6.88000(10)
_cell_measurement_temperature    293(2)
_cell_volume                     528.826(11)
_computing_structure_refinement  FULLPROF
_diffrn_ambient_temperature      295
_diffrn_measurement_device_type  'Philips 1050'
_diffrn_radiation_type           X-ray
_pd_instr_location               ?
_pd_meas_2theta_range_inc        0.02
_pd_meas_2theta_range_max        110
_pd_meas_2theta_range_min        8
_pd_meas_number_of_points        5096
_pd_proc_2theta_range_inc        0.02
_pd_proc_2theta_range_max        110
_pd_proc_2theta_range_min        8
_pd_proc_ls_background_function  'square polynomial for each range'
_pd_proc_ls_pref_orient_corr     ?
_pd_proc_ls_profile_function     pseudo-Voigt
_pd_proc_ls_prof_R_factor        9.4935
_pd_proc_ls_prof_wR_expected     10.1320
_pd_proc_ls_prof_wR_factor       13.4916
_pd_proc_wavelength              1.540562
_pd_spec_mounting                ?
_refine_ls_number_parameters     4
_refine_ls_number_reflns         526
_refine_ls_number_restraints     4
_cod_data_source_file            ks5226.cif
_cod_data_source_block           HAp
_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 

Luca Lutterotti, 10/5/2013

Problem with occupancy exceeding 1. We re-normalize everything 
to 1 for the maximum.
;
_cod_original_sg_symbol_H-M      'P 63/M'
_cod_original_formula_sum        'H1 Ca5 O13 P3'
_cod_database_code               2300273
Crystal structure of cobalt-substituted calcium hydroxyapatite nanopowders prepared by hydrothermal processing
Veselinović, Ljiljana; Karanović, Ljiljana; Stojanović, Zoran; Bračko, Ines; Marković, Smilja; Ignjatović, Nenad; Uskoković, Dragan; Journal of Applied Crystallography 43 (2010) 320–327; doi:10.1107/S0021889809051395

data_2300274
_publ_section_title
;
 Crystal structure of cobalt-substituted calcium hydroxyapatite
 nanopowders prepared by hydrothermal processing
;
_journal_coeditor_code           KS5226
_journal_issue                   2
_journal_name_full               'Journal of Applied Crystallography'
_journal_page_first              320
_journal_page_last               327
_journal_paper_doi               10.1107/S0021889809051395
_journal_volume                  43
_journal_year                    2010
_chemical_formula_structural     Ca9.57Co0.43(PO4)6(OH)2
_chemical_name_common            'Calcium Tris(phosphate(V)) Hydroxide'
_chemical_name_systematic
;
 cobalt exchanged hydroxyapatite
;
_space_group_IT_number           176
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            2
_cell_length_a                   9.4170(3)
_cell_length_b                   9.4170(3)
_cell_length_c                   6.8670(2)
_cell_measurement_temperature    293(2)
_cell_volume                     527.38(3)
_computing_structure_refinement  FULLPROF
_diffrn_ambient_temperature      295
_diffrn_measurement_device_type  'Philips 1050'
_diffrn_radiation_type           X-ray
_pd_instr_location               ?
_pd_meas_2theta_range_inc        0.02
_pd_meas_2theta_range_max        110
_pd_meas_2theta_range_min        8
_pd_meas_number_of_points        5096
_pd_proc_2theta_range_inc        0.02
_pd_proc_2theta_range_max        110
_pd_proc_2theta_range_min        8
_pd_proc_ls_background_function  'square polynomial for each range'
_pd_proc_ls_pref_orient_corr     ?
_pd_proc_ls_profile_function     pseudo-Voigt
_pd_proc_ls_prof_R_factor        9.4238
_pd_proc_ls_prof_wR_expected     15.3463
_pd_proc_ls_prof_wR_factor       12.0244
_pd_proc_wavelength              1.540560
_pd_spec_mounting                ?
_refine_ls_number_parameters     28
_refine_ls_number_reflns         547
_refine_ls_number_restraints     4
_cod_data_source_file            ks5226.cif
_cod_data_source_block           Co5HAp
_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 

Luca Lutterotti, 10/5/2013

Problem with occupancy exceeding 1. We re-normalize everything 
to 1 for the maximum.

Adding missing '_cell_length_a' after consulting the original paper.
;
_cod_original_sg_symbol_H-M      'P 63/M'
_cod_database_code               2300274
Crystal structure of cobalt-substituted calcium hydroxyapatite nanopowders prepared by hydrothermal processing
Veselinović, Ljiljana; Karanović, Ljiljana; Stojanović, Zoran; Bračko, Ines; Marković, Smilja; Ignjatović, Nenad; Uskoković, Dragan; Journal of Applied Crystallography 43 (2010) 320–327; doi:10.1107/S0021889809051395

data_2300275
_publ_section_title
;
 Crystal structure of cobalt-substituted calcium hydroxyapatite
 nanopowders prepared by hydrothermal processing
;
_journal_coeditor_code           KS5226
_journal_issue                   2
_journal_name_full               'Journal of Applied Crystallography'
_journal_page_first              320
_journal_page_last               327
_journal_paper_doi               10.1107/S0021889809051395
_journal_volume                  43
_journal_year                    2010
_chemical_formula_structural     Ca9.05Co0.95(PO4)6(OH)2
_chemical_name_common            'Calcium Tris(phosphate(V)) Hydroxide'
_chemical_name_systematic
;
 cobalt exchanged hydroxyapatite
;
_space_group_IT_number           176
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            2
_cell_length_a                   9.4039(4)
_cell_length_b                   9.4039(4)
_cell_length_c                   6.8526(4)
_cell_measurement_temperature    293(2)
_cell_volume                     524.81(4)
_computing_structure_refinement  FULLPROF
_diffrn_ambient_temperature      295
_diffrn_measurement_device_type  'Philips 1050'
_diffrn_radiation_type           X-ray
_pd_instr_location               ?
_pd_meas_2theta_range_inc        0.02
_pd_meas_2theta_range_max        110
_pd_meas_2theta_range_min        8
_pd_meas_number_of_points        5096
_pd_proc_2theta_range_inc        0.02
_pd_proc_2theta_range_max        110
_pd_proc_2theta_range_min        8
_pd_proc_ls_background_function  'square polynomial for each range'
_pd_proc_ls_pref_orient_corr     ?
_pd_proc_ls_profile_function     pseudo-Voigt
_pd_proc_ls_prof_R_factor        4.3818
_pd_proc_ls_prof_wR_expected     7.1997
_pd_proc_ls_prof_wR_factor       5.5497
_pd_proc_wavelength              1.540562
_pd_spec_mounting                ?
_refine_ls_number_parameters     36
_refine_ls_number_reflns         567
_refine_ls_number_restraints     4
_cod_data_source_file            ks5226.cif
_cod_data_source_block           Co10HAp
_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 

Luca Lutterotti, 10/5/2013

Problem with occupancy exceeding 1. We re-normalize everything 
to 1 for the maximum.
;
_cod_original_sg_symbol_H-M      'P 63/M'
_cod_database_code               2300275
Crystal structure of cobalt-substituted calcium hydroxyapatite nanopowders prepared by hydrothermal processing
Veselinović, Ljiljana; Karanović, Ljiljana; Stojanović, Zoran; Bračko, Ines; Marković, Smilja; Ignjatović, Nenad; Uskoković, Dragan; Journal of Applied Crystallography 43 (2010) 320–327; doi:10.1107/S0021889809051395

data_2300276
_publ_section_title
;
 Crystal structure of cobalt-substituted calcium hydroxyapatite
 nanopowders prepared by hydrothermal processing
;
_journal_coeditor_code           KS5226
_journal_issue                   2
_journal_name_full               'Journal of Applied Crystallography'
_journal_page_first              320
_journal_page_last               327
_journal_paper_doi               10.1107/S0021889809051395
_journal_volume                  43
_journal_year                    2010
_chemical_formula_structural     Ca8.83Co1.17(PO4)6(OH)2
_chemical_name_common            'Calcium Tris(phosphate(V)) Hydroxide'
_chemical_name_systematic
;
 cobalt exchanged hydroxyapatite
;
_space_group_IT_number           176
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            2
_cell_length_a                   9.4109(4)
_cell_length_b                   9.4109(4)
_cell_length_c                   6.8456(4)
_cell_measurement_temperature    293(2)
_cell_volume                     525.05(4)
_computing_structure_refinement  FULLPROF
_diffrn_ambient_temperature      295
_diffrn_measurement_device_type  'Philips 1050'
_diffrn_radiation_type           X-ray
_pd_instr_location               ?
_pd_meas_2theta_range_inc        0.02
_pd_meas_2theta_range_max        110
_pd_meas_2theta_range_min        8
_pd_meas_number_of_points        5096
_pd_proc_2theta_range_inc        0.02
_pd_proc_2theta_range_max        110
_pd_proc_2theta_range_min        8
_pd_proc_ls_background_function  'square polynomial for each range'
_pd_proc_ls_pref_orient_corr     ?
_pd_proc_ls_profile_function     pseudo-Voigt
_pd_proc_ls_prof_R_factor        3.3956
_pd_proc_ls_prof_wR_expected     5.5329
_pd_proc_ls_prof_wR_factor       4.2669
_pd_proc_wavelength              1.540560
_pd_spec_mounting                ?
_refine_ls_number_parameters     22
_refine_ls_number_reflns         586
_refine_ls_number_restraints     4
_cod_data_source_file            ks5226.cif
_cod_data_source_block           Co15HAp
_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 

Luca Lutterotti, 10/5/2013

Problem with occupancy exceeding 1. We re-normalize everything 
to 1 for the maximum.
;
_cod_original_sg_symbol_H-M      'P 63/M'
_cod_database_code               2300276
Crystal structure of cobalt-substituted calcium hydroxyapatite nanopowders prepared by hydrothermal processing
Veselinović, Ljiljana; Karanović, Ljiljana; Stojanović, Zoran; Bračko, Ines; Marković, Smilja; Ignjatović, Nenad; Uskoković, Dragan; Journal of Applied Crystallography 43 (2010) 320–327; doi:10.1107/S0021889809051395

data_2300277
_publ_section_title
;
 Crystal structure of cobalt-substituted calcium hydroxyapatite
 nanopowders prepared by hydrothermal processing
;
_journal_coeditor_code           KS5226
_journal_issue                   2
_journal_name_full               'Journal of Applied Crystallography'
_journal_page_first              320
_journal_page_last               327
_journal_paper_doi               10.1107/S0021889809051395
_journal_volume                  43
_journal_year                    2010
_chemical_formula_structural     Ca8.85Co1.15(PO4)6(OH)2
_chemical_name_common            'Calcium Tris(phosphate(V)) Hydroxide'
_chemical_name_systematic
;
 cobalt exchanged hydroxyapatite
;
_space_group_IT_number           176
_space_group_name_Hall           '-P 6c'
_space_group_name_H-M_alt        'P 63/m'
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            2
_cell_length_a                   9.4072(5)
_cell_length_b                   9.4072(5)
_cell_length_c                   6.8400(2)
_cell_measurement_temperature    293(2)
_cell_volume                     524.21(4)
_computing_structure_refinement  FULLPROF
_diffrn_ambient_temperature      295
_diffrn_measurement_device_type  'Philips 1050'
_diffrn_radiation_type           X-ray
_pd_instr_location               ?
_pd_meas_2theta_range_inc        0.02
_pd_meas_2theta_range_max        110
_pd_meas_2theta_range_min        8
_pd_meas_number_of_points        5096
_pd_proc_2theta_range_inc        0.02
_pd_proc_2theta_range_max        110
_pd_proc_2theta_range_min        8
_pd_proc_ls_background_function  'square polynomial for each range'
_pd_proc_ls_pref_orient_corr     ?
_pd_proc_ls_profile_function     pseudo-Voigt
_pd_proc_ls_prof_R_factor        3.9424
_pd_proc_ls_prof_wR_expected     6.3526
_pd_proc_ls_prof_wR_factor       4.9330
_pd_proc_wavelength              1.540560
_pd_spec_mounting                ?
_refine_ls_number_parameters     38
_refine_ls_number_reflns         579
_refine_ls_number_restraints     4
_cod_data_source_file            ks5226.cif
_cod_data_source_block           Co20HAp
_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 

Luca Lutterotti, 10/5/2013

Problem with occupancy exceeding 1. We re-normalize everything 
to 1 for the maximum.
;
_cod_original_sg_symbol_H-M      'P 63/M'
_cod_database_code               2300277
Conducting Dimerized Cobalt Complexes with Tetrathiafulvalene Dithiolate Ligands
Emiko Fujiwara; Kazumasa Hosoya; Akiko Kobayashi; Hisashi Tanaka; Madoka Tokumoto; Yoshinori Okano; Hideki Fujiwara; Hayao Kobayashi; Yuichi Fujishiro; Eiji Nishibori; Masaki Takata; Makoto Sakata; Inorganic Chemistry 47 (2008) 863–874; doi:10.1021/ic701100r

data_4303999
_publ_section_title
;
Conducting Dimerized Cobalt Complexes with Tetrathiafulvalene Dithiolate
Ligands
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              863
_journal_page_last               874
_journal_paper_doi               10.1021/ic701100r
_journal_volume                  47
_journal_year                    2008
_chemical_formula_moiety         'C24 H8 Co2 S24'
_chemical_formula_sum            'C24 H8 Co2 S24'
_chemical_formula_weight         1183.84
_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                79.7310(10)
_cell_angle_beta                 96.481(2)
_cell_angle_gamma                113.9690(9)
_cell_formula_units_Z            1
_cell_length_a                   11.7164(2)
_cell_length_b                   10.94960(10)
_cell_length_c                   7.7319(7)
_cell_measurement_temperature    300
_cell_volume                     890.96(8)
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     1.00
_cod_data_source_file            ic701100r-file003.cif
_cod_data_source_block           global
_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               4303999
An Experimental and Theoretical Study of the Variation of 4f Hybridization Across the La1-xCexIn3 Series
D. Gout; O. Gourdon; E. D. Bauer; F. Ronning; J. D. Thompson; Th. Proffen; Inorganic Chemistry 47 (2008) 2569–2575; doi:10.1021/ic701930j

data_4304428
_publ_section_title
;
An Experimental and Theoretical Study of the Variation of 4f Hybridization
Across the La1-xCexIn3 Series
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2569
_journal_page_last               2575
_journal_paper_doi               10.1021/ic701930j
_journal_volume                  47
_journal_year                    2008
_chemical_formula_sum            'Ce0.03 In3 La0.97'
_chemical_formula_weight         483.402
_space_group_IT_number           221
_symmetry_Int_Tables_number      221
_symmetry_space_group_name_Hall  '-P 4 2 3'
_symmetry_space_group_name_H-M   'P m -3 m'
_audit_creation_date             07-09-28
_audit_creation_method
'Created with Diamond (www.crystalimpact.com)'
_audit_update_record             07-09-28
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   4.7312(2)
_cell_length_b                   4.7312(2)
_cell_length_c                   4.7312(2)
_cell_volume                     105.904(8)
_cod_data_source_file            ic701930j-file001.cif
_cod_data_source_block           Structure_Ce0.2La0.98In3
_cod_original_cell_volume        103.2
_cod_original_sg_symbol_Hall     -P_4_2_3
_cod_database_code               4304428