LMucko/crystallography-open-database huggingface dataset:
Ordering of Nitrogen in Nickel Nitride Ni3N Determined by Neutron Diffraction
Andreas Leineweber; Herbert Jacobs; Steve Hull; Inorganic Chemistry 40 (2001) 5818–5822; doi:10.1021/ic0104860

data_4320495
_publ_contact_author             'Prof. Dr. Herbert Jacobs'
_publ_contact_author_email       jacobs@pop.uni-dortmund.de
_publ_contact_author_fax         '+49 231 755 5048'
_publ_contact_author_phone       '+49 231 755 3803'
_publ_section_title
;
 Ordering of Nitrogen in Nickel Nitride Ni3N Determined by Neutron
 Diffraction
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5818
_journal_page_last               5822
_journal_paper_doi               10.1021/ic0104860
_journal_volume                  40
_journal_year                    2001
_chemical_formula_sum            Ni
_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            4
_cell_length_a                   3.53195(25)
_cell_length_b                   3.53195
_cell_length_c                   3.53195
_cell_volume                     44.060(3)
_computing_structure_refinement  GSAS
_pd_block_id                     2001-05-14T21:19|PHASE_2||
_pd_phase_name                   Ni
_refine_ls_goodness_of_fit_all   1.69
_refine_ls_number_parameters     56
_refine_ls_shift/esd_max         .04
_refine_ls_shift/esd_mean        .01
_cod_data_source_file            ic0104860_11.cif
_cod_data_source_block           200_phase_2
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               4320495
_cod_database_fobs_code          4320495
Ordering of Nitrogen in Nickel Nitride Ni3N Determined by Neutron Diffraction
Andreas Leineweber; Herbert Jacobs; Steve Hull; Inorganic Chemistry 40 (2001) 5818–5822; doi:10.1021/ic0104860

data_4320496
_publ_contact_author             'Prof. Dr. Herbert Jacobs'
_publ_contact_author_email       jacobs@pop.uni-dortmund.de
_publ_contact_author_fax         '+49 231 755 5048'
_publ_contact_author_phone       '+49 231 755 3803'
_publ_section_title
;
 Ordering of Nitrogen in Nickel Nitride Ni3N Determined by Neutron
 Diffraction
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5818
_journal_page_last               5822
_journal_paper_doi               10.1021/ic0104860
_journal_volume                  40
_journal_year                    2001
_chemical_formula_sum            'Ni O'
_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            4
_cell_length_a                   4.19390(33)
_cell_length_b                   4.1939
_cell_length_c                   4.1939
_cell_volume                     73.766(6)
_computing_structure_refinement  GSAS
_pd_block_id                     2001-05-14T21:19|PHASE_3||
_pd_phase_name                   NiO
_refine_ls_goodness_of_fit_all   1.69
_refine_ls_number_parameters     56
_refine_ls_shift/esd_max         .04
_refine_ls_shift/esd_mean        .01
_cod_data_source_file            ic0104860_12.cif
_cod_data_source_block           200_phase_3
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               4320496
_cod_database_fobs_code          4320496
Ordering of Nitrogen in Nickel Nitride Ni3N Determined by Neutron Diffraction
Andreas Leineweber; Herbert Jacobs; Steve Hull; Inorganic Chemistry 40 (2001) 5818–5822; doi:10.1021/ic0104860

data_4320497
_publ_contact_author             'Prof. Dr. Herbert Jacobs'
_publ_contact_author_email       jacobs@pop.uni-dortmund.de
_publ_contact_author_fax         '+49 231 755 5048'
_publ_contact_author_phone       '+49 231 755 3803'
_publ_section_title
;
 Ordering of Nitrogen in Nickel Nitride Ni3N Determined by Neutron
 Diffraction
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5818
_journal_page_last               5822
_journal_paper_doi               10.1021/ic0104860
_journal_volume                  40
_journal_year                    2001
_chemical_formula_sum            'N Ni3'
_space_group_IT_number           182
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  'P 6c 2c'
_symmetry_space_group_name_H-M   'P 63 2 2'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                120.0
_cell_formula_units_Z            2
_cell_length_a                   4.632942(26)
_cell_length_b                   4.632942
_cell_length_c                   4.31714
_cell_volume                     80.2492(5)
_computing_structure_refinement  GSAS
_pd_block_id                     2001-05-14T21:21|PHASE_1||
_pd_phase_name                   Ni3N
_refine_ls_goodness_of_fit_all   1.84
_refine_ls_number_parameters     56
_refine_ls_shift/esd_max         .04
_refine_ls_shift/esd_mean        .00
_cod_data_source_file            ic0104860_13.cif
_cod_data_source_block           225_phase_1
_cod_original_formula_sum        'Ni3 N'
_cod_database_code               4320497
_cod_database_fobs_code          4320497
Ordering of Nitrogen in Nickel Nitride Ni3N Determined by Neutron Diffraction
Andreas Leineweber; Herbert Jacobs; Steve Hull; Inorganic Chemistry 40 (2001) 5818–5822; doi:10.1021/ic0104860

data_4320498
_publ_contact_author             'Prof. Dr. Herbert Jacobs'
_publ_contact_author_email       jacobs@pop.uni-dortmund.de
_publ_contact_author_fax         '+49 231 755 5048'
_publ_contact_author_phone       '+49 231 755 3803'
_publ_section_title
;
 Ordering of Nitrogen in Nickel Nitride Ni3N Determined by Neutron
 Diffraction
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5818
_journal_page_last               5822
_journal_paper_doi               10.1021/ic0104860
_journal_volume                  40
_journal_year                    2001
_chemical_formula_sum            Ni
_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            4
_cell_length_a                   3.53336(27)
_cell_length_b                   3.53336
_cell_length_c                   3.53336
_cell_volume                     44.113(3)
_computing_structure_refinement  GSAS
_pd_block_id                     2001-05-14T21:21|PHASE_2||
_pd_phase_name                   Ni
_refine_ls_goodness_of_fit_all   1.84
_refine_ls_number_parameters     56
_refine_ls_shift/esd_max         .04
_refine_ls_shift/esd_mean        .00
_cod_data_source_file            ic0104860_14.cif
_cod_data_source_block           225_phase_2
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               4320498
_cod_database_fobs_code          4320498
Ordering of Nitrogen in Nickel Nitride Ni3N Determined by Neutron Diffraction
Andreas Leineweber; Herbert Jacobs; Steve Hull; Inorganic Chemistry 40 (2001) 5818–5822; doi:10.1021/ic0104860

data_4320499
_publ_contact_author             'Prof. Dr. Herbert Jacobs'
_publ_contact_author_email       jacobs@pop.uni-dortmund.de
_publ_contact_author_fax         '+49 231 755 5048'
_publ_contact_author_phone       '+49 231 755 3803'
_publ_section_title
;
 Ordering of Nitrogen in Nickel Nitride Ni3N Determined by Neutron
 Diffraction
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5818
_journal_page_last               5822
_journal_paper_doi               10.1021/ic0104860
_journal_volume                  40
_journal_year                    2001
_chemical_formula_sum            'Ni O'
_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            4
_cell_length_a                   4.19582(29)
_cell_length_b                   4.19582
_cell_length_c                   4.19582
_cell_volume                     73.867(5)
_computing_structure_refinement  GSAS
_pd_block_id                     2001-05-14T21:21|PHASE_3||
_pd_phase_name                   NiO
_refine_ls_goodness_of_fit_all   1.84
_refine_ls_number_parameters     56
_refine_ls_shift/esd_max         .04
_refine_ls_shift/esd_mean        .00
_cod_data_source_file            ic0104860_15.cif
_cod_data_source_block           225_phase_3
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               4320499
_cod_database_fobs_code          4320499
Ordering of Nitrogen in Nickel Nitride Ni3N Determined by Neutron Diffraction
Andreas Leineweber; Herbert Jacobs; Steve Hull; Inorganic Chemistry 40 (2001) 5818–5822; doi:10.1021/ic0104860

data_4320500
_publ_contact_author             'Prof. Dr. Herbert Jacobs'
_publ_contact_author_email       jacobs@pop.uni-dortmund.de
_publ_contact_author_fax         '+49 231 755 5048'
_publ_contact_author_phone       '+49 231 755 3803'
_publ_section_title
;
 Ordering of Nitrogen in Nickel Nitride Ni3N Determined by Neutron
 Diffraction
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5818
_journal_page_last               5822
_journal_paper_doi               10.1021/ic0104860
_journal_volume                  40
_journal_year                    2001
_chemical_formula_sum            'N Ni3'
_space_group_IT_number           182
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  'P 6c 2c'
_symmetry_space_group_name_H-M   'P 63 2 2'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                120.0
_cell_formula_units_Z            2
_cell_length_a                   4.633861(28)
_cell_length_b                   4.633861
_cell_length_c                   4.31867
_cell_volume                     80.3095(5)
_computing_structure_refinement  GSAS
_pd_block_id                     2001-05-14T21:23|PHASE_1||
_pd_phase_name                   Ni3N
_refine_ls_goodness_of_fit_all   1.89
_refine_ls_number_parameters     56
_refine_ls_shift/esd_max         .07
_refine_ls_shift/esd_mean        .01
_cod_data_source_file            ic0104860_16.cif
_cod_data_source_block           250_phase_1
_cod_original_formula_sum        'Ni3 N'
_cod_database_code               4320500
_cod_database_fobs_code          4320500
Ordering of Nitrogen in Nickel Nitride Ni3N Determined by Neutron Diffraction
Andreas Leineweber; Herbert Jacobs; Steve Hull; Inorganic Chemistry 40 (2001) 5818–5822; doi:10.1021/ic0104860

data_4320501
_publ_contact_author             'Prof. Dr. Herbert Jacobs'
_publ_contact_author_email       jacobs@pop.uni-dortmund.de
_publ_contact_author_fax         '+49 231 755 5048'
_publ_contact_author_phone       '+49 231 755 3803'
_publ_section_title
;
 Ordering of Nitrogen in Nickel Nitride Ni3N Determined by Neutron
 Diffraction
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5818
_journal_page_last               5822
_journal_paper_doi               10.1021/ic0104860
_journal_volume                  40
_journal_year                    2001
_chemical_formula_sum            Ni
_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            4
_cell_length_a                   3.53452(28)
_cell_length_b                   3.53452
_cell_length_c                   3.53452
_cell_volume                     44.156(3)
_computing_structure_refinement  GSAS
_pd_block_id                     2001-05-14T21:23|PHASE_2||
_pd_phase_name                   Ni
_refine_ls_goodness_of_fit_all   1.89
_refine_ls_number_parameters     56
_refine_ls_shift/esd_max         .07
_refine_ls_shift/esd_mean        .01
_cod_data_source_file            ic0104860_17.cif
_cod_data_source_block           250_phase_2
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               4320501
_cod_database_fobs_code          4320501
Ordering of Nitrogen in Nickel Nitride Ni3N Determined by Neutron Diffraction
Andreas Leineweber; Herbert Jacobs; Steve Hull; Inorganic Chemistry 40 (2001) 5818–5822; doi:10.1021/ic0104860

data_4320502
_publ_contact_author             'Prof. Dr. Herbert Jacobs'
_publ_contact_author_email       jacobs@pop.uni-dortmund.de
_publ_contact_author_fax         '+49 231 755 5048'
_publ_contact_author_phone       '+49 231 755 3803'
_publ_section_title
;
 Ordering of Nitrogen in Nickel Nitride Ni3N Determined by Neutron
 Diffraction
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5818
_journal_page_last               5822
_journal_paper_doi               10.1021/ic0104860
_journal_volume                  40
_journal_year                    2001
_chemical_formula_sum            'Ni O'
_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            4
_cell_length_a                   4.19865(25)
_cell_length_b                   4.19865
_cell_length_c                   4.19865
_cell_volume                     74.017(4)
_computing_structure_refinement  GSAS
_pd_block_id                     2001-05-14T21:23|PHASE_3||
_pd_phase_name                   NiO
_refine_ls_goodness_of_fit_all   1.89
_refine_ls_number_parameters     56
_refine_ls_shift/esd_max         .07
_refine_ls_shift/esd_mean        .01
_cod_data_source_file            ic0104860_18.cif
_cod_data_source_block           250_phase_3
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               4320502
_cod_database_fobs_code          4320502
Ordering of Nitrogen in Nickel Nitride Ni3N Determined by Neutron Diffraction
Andreas Leineweber; Herbert Jacobs; Steve Hull; Inorganic Chemistry 40 (2001) 5818–5822; doi:10.1021/ic0104860

data_4320503
_publ_contact_author             'Prof. Dr. Herbert Jacobs'
_publ_contact_author_email       jacobs@pop.uni-dortmund.de
_publ_contact_author_fax         '+49 231 755 5048'
_publ_contact_author_phone       '+49 231 755 3803'
_publ_section_title
;
 Ordering of Nitrogen in Nickel Nitride Ni3N Determined by Neutron
 Diffraction
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5818
_journal_page_last               5822
_journal_paper_doi               10.1021/ic0104860
_journal_volume                  40
_journal_year                    2001
_chemical_formula_sum            'N Ni3'
_space_group_IT_number           182
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  'P 6c 2c'
_symmetry_space_group_name_H-M   'P 63 2 2'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                120.0
_cell_formula_units_Z            2
_cell_length_a                   4.636302(33)
_cell_length_b                   4.636302
_cell_length_c                   4.32179
_cell_volume                     80.4522(6)
_computing_structure_refinement  GSAS
_pd_block_id                     2001-05-15T11:16|PHASE_1||
_pd_phase_name                   Ni3N
_refine_ls_goodness_of_fit_all   1.96
_refine_ls_number_parameters     65
_refine_ls_shift/esd_max         .02
_refine_ls_shift/esd_mean        .00
_cod_data_source_file            ic0104860_19.cif
_cod_data_source_block           FREI2_phase_1
_cod_original_formula_sum        'Ni3 N'
_cod_database_code               4320503
_cod_database_fobs_code          4320503
Ordering of Nitrogen in Nickel Nitride Ni3N Determined by Neutron Diffraction
Andreas Leineweber; Herbert Jacobs; Steve Hull; Inorganic Chemistry 40 (2001) 5818–5822; doi:10.1021/ic0104860

data_4320504
_publ_contact_author             'Prof. Dr. Herbert Jacobs'
_publ_contact_author_email       jacobs@pop.uni-dortmund.de
_publ_contact_author_fax         '+49 231 755 5048'
_publ_contact_author_phone       '+49 231 755 3803'
_publ_section_title
;
 Ordering of Nitrogen in Nickel Nitride Ni3N Determined by Neutron
 Diffraction
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5818
_journal_page_last               5822
_journal_paper_doi               10.1021/ic0104860
_journal_volume                  40
_journal_year                    2001
_chemical_formula_sum            Ni
_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            4
_cell_length_a                   3.53840(6)
_cell_length_b                   3.5384
_cell_length_c                   3.5384
_cell_volume                     44.3017(8)
_computing_structure_refinement  GSAS
_pd_block_id                     2001-05-15T11:16|PHASE_2||
_pd_phase_name                   Ni
_refine_ls_goodness_of_fit_all   1.96
_refine_ls_number_parameters     65
_refine_ls_shift/esd_max         .02
_refine_ls_shift/esd_mean        .00
_cod_data_source_file            ic0104860_20.cif
_cod_data_source_block           FREI2_phase_2
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               4320504
_cod_database_fobs_code          4320504
Ordering of Nitrogen in Nickel Nitride Ni3N Determined by Neutron Diffraction
Andreas Leineweber; Herbert Jacobs; Steve Hull; Inorganic Chemistry 40 (2001) 5818–5822; doi:10.1021/ic0104860

data_4320505
_publ_contact_author             'Prof. Dr. Herbert Jacobs'
_publ_contact_author_email       jacobs@pop.uni-dortmund.de
_publ_contact_author_fax         '+49 231 755 5048'
_publ_contact_author_phone       '+49 231 755 3803'
_publ_section_title
;
 Ordering of Nitrogen in Nickel Nitride Ni3N Determined by Neutron
 Diffraction
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5818
_journal_page_last               5822
_journal_paper_doi               10.1021/ic0104860
_journal_volume                  40
_journal_year                    2001
_chemical_formula_sum            'Ni O'
_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            4
_cell_length_a                   4.20097(21)
_cell_length_b                   4.20097
_cell_length_c                   4.20097
_cell_volume                     74.139(4)
_computing_structure_refinement  GSAS
_pd_block_id                     2001-05-15T11:16|PHASE_3||
_pd_phase_name                   NiO
_refine_ls_goodness_of_fit_all   1.96
_refine_ls_number_parameters     65
_refine_ls_shift/esd_max         .02
_refine_ls_shift/esd_mean        .00
_cod_data_source_file            ic0104860_21.cif
_cod_data_source_block           FREI2_phase_3
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               4320505
_cod_database_fobs_code          4320505
Ordering of Nitrogen in Nickel Nitride Ni3N Determined by Neutron Diffraction
Andreas Leineweber; Herbert Jacobs; Steve Hull; Inorganic Chemistry 40 (2001) 5818–5822; doi:10.1021/ic0104860

data_4320506
_publ_contact_author             'Prof. Dr. Herbert Jacobs'
_publ_contact_author_email       jacobs@pop.uni-dortmund.de
_publ_contact_author_fax         '+49 231 755 5048'
_publ_contact_author_phone       '+49 231 755 3803'
_publ_section_title
;
 Ordering of Nitrogen in Nickel Nitride Ni3N Determined by Neutron
 Diffraction
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5818
_journal_page_last               5822
_journal_paper_doi               10.1021/ic0104860
_journal_volume                  40
_journal_year                    2001
_chemical_formula_sum            'N Ni3'
_space_group_IT_number           182
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  'P 6c 2c'
_symmetry_space_group_name_H-M   'P 63 2 2'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                120.0
_cell_formula_units_Z            2
_cell_length_a                   4.634816(29)
_cell_length_b                   4.634816
_cell_length_c                   4.32018
_cell_volume                     80.3706(5)
_computing_structure_refinement  GSAS
_pd_block_id                     2001-05-14T21:24|PHASE_1||
_pd_phase_name                   Ni3N
_refine_ls_goodness_of_fit_all   1.94
_refine_ls_number_parameters     56
_refine_ls_shift/esd_max         .03
_refine_ls_shift/esd_mean        .01
_cod_data_source_file            ic0104860_22.cif
_cod_data_source_block           275_phase_1
_cod_original_formula_sum        'Ni3 N'
_cod_database_code               4320506
_cod_database_fobs_code          4320506
Ordering of Nitrogen in Nickel Nitride Ni3N Determined by Neutron Diffraction
Andreas Leineweber; Herbert Jacobs; Steve Hull; Inorganic Chemistry 40 (2001) 5818–5822; doi:10.1021/ic0104860

data_4320507
_publ_contact_author             'Prof. Dr. Herbert Jacobs'
_publ_contact_author_email       jacobs@pop.uni-dortmund.de
_publ_contact_author_fax         '+49 231 755 5048'
_publ_contact_author_phone       '+49 231 755 3803'
_publ_section_title
;
 Ordering of Nitrogen in Nickel Nitride Ni3N Determined by Neutron
 Diffraction
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5818
_journal_page_last               5822
_journal_paper_doi               10.1021/ic0104860
_journal_volume                  40
_journal_year                    2001
_chemical_formula_sum            Ni
_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            4
_cell_length_a                   3.53654(18)
_cell_length_b                   3.53654
_cell_length_c                   3.53654
_cell_volume                     44.232(2)
_computing_structure_refinement  GSAS
_pd_block_id                     2001-05-14T21:24|PHASE_2||
_pd_phase_name                   Ni
_refine_ls_goodness_of_fit_all   1.94
_refine_ls_number_parameters     56
_refine_ls_shift/esd_max         .03
_refine_ls_shift/esd_mean        .01
_cod_data_source_file            ic0104860_23.cif
_cod_data_source_block           275_phase_2
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               4320507
_cod_database_fobs_code          4320507