LMucko/crystallography-open-database huggingface dataset:
Structural Studies of Rutile-Type Metal Dioxides
Bolzan, A. A.; Fong, C.; Kennedy, B. J.; Howard, C. J.; Acta Crystallographica Section B 53 (1997) 373–380; doi:10.1107/S0108768197001468

data_2101851
_publ_section_title
;
 Structural Studies of Rutile-Type Metal Dioxides
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              373
_journal_page_last               380
_journal_paper_doi               10.1107/S0108768197001468
_journal_volume                  53
_journal_year                    1997
_chemical_formula_sum            'Ge O2'
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4n 2n'
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            2
_cell_length_a                   4.40656(5)
_cell_length_b                   4.40656(5)
_cell_length_c                   2.86186(3)
_cell_volume                     55.5709(11)
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           neutron
_diffrn_radiation_wavelength     1.372
_cod_data_source_file            br0044.cif
_cod_data_source_block           br0044a
_cod_original_formula_sum        'Ge1 O2'
_cod_database_code               2101851
Structural Studies of Rutile-Type Metal Dioxides
Bolzan, A. A.; Fong, C.; Kennedy, B. J.; Howard, C. J.; Acta Crystallographica Section B 53 (1997) 373–380; doi:10.1107/S0108768197001468

data_2101852
_publ_section_title
;
 Structural Studies of Rutile-Type Metal Dioxides
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              373
_journal_page_last               380
_journal_paper_doi               10.1107/S0108768197001468
_journal_volume                  53
_journal_year                    1997
_chemical_compound_source        Synthetic
_chemical_formula_sum            'O2 Ru'
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4n 2n'
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            2
_cell_length_a                   4.4968(2)
_cell_length_b                   4.4968(2)
_cell_length_c                   3.10490(10)
_cell_volume                     62.785
_database_code_amcsd             0019241
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           neutron
_diffrn_radiation_wavelength     1.377
_exptl_crystal_density_diffrn    7.039
_cod_data_source_file            br0044.cif
_cod_original_formula_sum        'O2 Ru1'
_cod_database_code               2101852
_amcsd_formula_title             RuO2
_cod_duplicate_entry 1000058
Structural Studies of Rutile-Type Metal Dioxides
Bolzan, A. A.; Fong, C.; Kennedy, B. J.; Howard, C. J.; Acta Crystallographica Section B 53 (1997) 373–380; doi:10.1107/S0108768197001468

data_2101853
_publ_section_title
;
 Structural Studies of Rutile-Type Metal Dioxides
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              373
_journal_page_last               380
_journal_paper_doi               10.1107/S0108768197001468
_journal_volume                  53
_journal_year                    1997
_chemical_formula_sum            'O2 Sn'
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4n 2n'
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            2
_cell_length_a                   4.73735(9)
_cell_length_b                   4.73735(9)
_cell_length_c                   3.18640(7)
_cell_volume                     71.511(2)
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           neutron
_diffrn_radiation_wavelength     1.377
_cod_data_source_file            br0044.cif
_cod_data_source_block           br0044c
_cod_database_code               2101853
Structural Studies of Rutile-Type Metal Dioxides
Bolzan, A. A.; Fong, C.; Kennedy, B. J.; Howard, C. J.; Acta Crystallographica Section B 53 (1997) 373–380; doi:10.1107/S0108768197001468

data_2101854
_publ_section_title
;
 Structural Studies of Rutile-Type Metal Dioxides
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              373
_journal_page_last               380
_journal_paper_doi               10.1107/S0108768197001468
_journal_volume                  53
_journal_year                    1997
_chemical_formula_sum            'Ir O2'
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4n 2n'
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            2
_cell_length_a                   4.5051(3)
_cell_length_b                   4.5051(3)
_cell_length_c                   3.1586(2)
_cell_volume                     64.107(7)
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           neutron
_diffrn_radiation_wavelength     1.372
_cod_data_source_file            br0044.cif
_cod_data_source_block           br0044d
_cod_original_formula_sum        'Ir1 O2'
_cod_database_code               2101854
_database_code_amcsd             0019243
The Elusive Crystal Structure of Uric Acid Dihydrate: Implication for Epitaxial Growth During Biomineralization
Artioli, G.; Masciocchi, N.; Galli, E.; Acta Crystallographica Section B 53 (1997) 498–503; doi:10.1107/S0108768196013067

data_2101862
_publ_section_title
;
 The Elusive Crystal Structure of Uric Acid Dihydrate: Implication for
 Epitaxial Growth During Biomineralization
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              498
_journal_page_last               503
_journal_paper_doi               10.1107/S0108768196013067
_journal_volume                  53
_journal_year                    1997
_chemical_formula_moiety         'C5 H4 N4 O3 ,2H2 O'
_chemical_formula_sum            'C5 H8 N4 O5'
_chemical_formula_weight         204.15
_space_group_IT_number           60
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2bc 2n'
_symmetry_space_group_name_H-M   'P n a b'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   7.4090(10)
_cell_length_b                   17.549(3)
_cell_length_c                   6.3320(10)
_cell_volume                     823.3(2)
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.7107
_exptl_absorpt_coefficient_mu    0.15
_exptl_crystal_density_diffrn    1.646
_cod_data_source_file            na0077.cif
_cod_data_source_block           na0077a
_cod_depositor_comments
;
 Added _atom_site_type_symbol label and values.

 Antanas Vaitkus
 2013-04-09
;
_cod_original_sg_symbol_Hall     '-P 2bc -2n'
_cod_database_code               2101862
Structure of Two Disordered Molybdates, Li~2~Mo^IV^O~3~ and Li~4~Mo~3~^IV^O~8~, from Total Neutron Scattering
Hibble, S. J.; Fawcett, I. D.; Hannon, A. C.; Acta Crystallographica Section B 53 (1997) 604–612; doi:10.1107/S0108768197003844

data_2101868
_publ_section_title
;
 Structure of Two Disordered Molybdates, Li~2~Mo^IV^O~3~ and
 Li~4~Mo~3~^IV^O~8~, from Total Neutron Scattering
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              604
_journal_page_last               612
_journal_paper_doi               10.1107/S0108768197003844
_journal_volume                  53
_journal_year                    1997
_chemical_formula_sum            'Li2 Mo O3'
_symmetry_cell_setting           rhombohedral
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                120.0
_cell_formula_units_Z            2
_cell_length_a                   2.878(7)
_cell_length_b                   2.878(7)
_cell_length_c                   14.9119(4)
_cell_volume                     107.0(4)
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           neutron
_cod_data_source_file            ab0367.cif
_cod_data_source_block           ab0367a
_cod_original_sg_symbol_H-M      'R -3 m {hexagonal axes}'
_cod_original_formula_sum        'Li2 Mo1 O3'
_cod_database_code               2101868
Structure of Two Disordered Molybdates, Li~2~Mo^IV^O~3~ and Li~4~Mo~3~^IV^O~8~, from Total Neutron Scattering
Hibble, S. J.; Fawcett, I. D.; Hannon, A. C.; Acta Crystallographica Section B 53 (1997) 604–612; doi:10.1107/S0108768197003844

data_2101869
_publ_section_title
;
 Structure of Two Disordered Molybdates, Li~2~Mo^IV^O~3~ and
 Li~4~Mo~3~^IV^O~8~, from Total Neutron Scattering
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              604
_journal_page_last               612
_journal_paper_doi               10.1107/S0108768197003844
_journal_volume                  53
_journal_year                    1997
_chemical_formula_sum            'Li4 Mo3 O8'
_symmetry_cell_setting           rhombohedral
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                120.0
_cell_formula_units_Z            1.333
_cell_length_a                   2.8688(5)
_cell_length_b                   2.8688(5)
_cell_length_c                   15.3843(4)
_cell_volume                     109.65(3)
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           neutron
_cod_data_source_file            ab0367.cif
_cod_data_source_block           ab0367b
_cod_original_sg_symbol_H-M      'R -3 m {hexagonal axes}'
_cod_database_code               2101869
Structure of Two Disordered Molybdates, Li~2~Mo^IV^O~3~ and Li~4~Mo~3~^IV^O~8~, from Total Neutron Scattering
Hibble, S. J.; Fawcett, I. D.; Hannon, A. C.; Acta Crystallographica Section B 53 (1997) 604–612; doi:10.1107/S0108768197003844

data_2101870
_publ_section_title
;
 Structure of Two Disordered Molybdates, Li~2~Mo^IV^O~3~ and
 Li~4~Mo~3~^IV^O~8~, from Total Neutron Scattering
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              604
_journal_page_last               612
_journal_paper_doi               10.1107/S0108768197003844
_journal_volume                  53
_journal_year                    1997
_chemical_formula_sum            'Li4 Mo3 O8'
_symmetry_cell_setting           rhombohedral
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                120.0
_cell_formula_units_Z            6
_cell_length_a                   5.738
_cell_length_b                   5.738
_cell_length_c                   30.768
_cell_volume                     877.306
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           neutron
_cod_data_source_file            ab0367.cif
_cod_data_source_block           ab0367c
_cod_original_sg_symbol_H-M      'R -3 m {hexagonal axes}'
_cod_database_code               2101870
Structure of Two Disordered Molybdates, Li~2~Mo^IV^O~3~ and Li~4~Mo~3~^IV^O~8~, from Total Neutron Scattering
Hibble, S. J.; Fawcett, I. D.; Hannon, A. C.; Acta Crystallographica Section B 53 (1997) 604–612; doi:10.1107/S0108768197003844

data_2101871
_publ_section_title
;
 Structure of Two Disordered Molybdates, Li~2~Mo^IV^O~3~ and
 Li~4~Mo~3~^IV^O~8~, from Total Neutron Scattering
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              604
_journal_page_last               612
_journal_paper_doi               10.1107/S0108768197003844
_journal_volume                  53
_journal_year                    1997
_chemical_formula_sum            'Li2 Mo O3'
_symmetry_cell_setting           rhombohedral
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                120.0
_cell_formula_units_Z            16
_cell_length_a                   5.755
_cell_length_b                   5.755
_cell_length_c                   29.824
_cell_volume                     855.435
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           neutron
_cod_data_source_file            ab0367.cif
_cod_data_source_block           ab0367d
_cod_original_sg_symbol_H-M      'R -3 m {hexagonal axes}'
_cod_original_formula_sum        'Li2 Mo1 O3'
_cod_database_code               2101871
Chiral Molecular Alloys: Patterson-Search Structure Determination of <small>L</small>-Carvone and <small>DL</small>-Carvone from X-ray Powder Diffraction Data at 218 K
Sañé, J.; Ruis, J.; Calvet, T.; Cuevas-Diarte, M. A.; Acta Crystallographica Section B 53 (1997) 702–707; doi:10.1107/S0108768197002905

data_2101879
_publ_section_title
;
 Chiral Molecular Alloys: Patterson-Search Structure Determination of
 <small>L</small>-Carvone and <small>DL</small>-Carvone from X-ray
 Powder Diffraction Data at 218 K
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              702
_journal_page_last               707
_journal_paper_doi               10.1107/S0108768197002905
_journal_volume                  53
_journal_year                    1997
_chemical_formula_sum            'C10 H14 O'
_chemical_formula_weight         150.01
_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_Hall           'P 2ac 2ab'
_space_group_name_H-M_alt        'P 21 21 21'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   6.8576(3)
_cell_length_b                   6.8831(5)
_cell_length_c                   19.988(2)
_cell_measurement_reflns_used    96
_cell_volume                     943.50(10)
_diffrn_ambient_temperature      218
_diffrn_radiation_type           CuK\a~1~
_diffrn_radiation_wavelength     1.54051
_exptl_absorpt_coefficient_mu    0.51
_exptl_crystal_density_diffrn    1.049
_cod_data_source_file            na0078.cif
_cod_original_formula_sum        'C10 H14 O1'
_cod_database_code               2101879
Chiral Molecular Alloys: Patterson-Search Structure Determination of <small>L</small>-Carvone and <small>DL</small>-Carvone from X-ray Powder Diffraction Data at 218 K
Sañé, J.; Ruis, J.; Calvet, T.; Cuevas-Diarte, M. A.; Acta Crystallographica Section B 53 (1997) 702–707; doi:10.1107/S0108768197002905

data_2101880
_publ_section_title
;
 Chiral Molecular Alloys: Patterson-Search Structure Determination of
 <small>L</small>-Carvone and <small>DL</small>-Carvone from X-ray
 Powder Diffraction Data at 218 K
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              702
_journal_page_last               707
_journal_paper_doi               10.1107/S0108768197002905
_journal_volume                  53
_journal_year                    1997
_chemical_formula_sum            'C10 H14 O'
_chemical_formula_weight         150.01
_space_group_crystal_system      orthorhombic
_space_group_IT_number           62
_space_group_name_Hall           '-P 2n 2ac'
_space_group_name_H-M_alt        'P c m n'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   6.9744(3)
_cell_length_b                   6.8094(6)
_cell_length_c                   20.038(7)
_cell_measurement_reflns_used    79
_cell_volume                     951.6(3)
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.5418
_exptl_absorpt_coefficient_mu    0.51
_exptl_crystal_density_diffrn    1.040
_cod_data_source_file            na0078.cif
_cod_data_source_block           na0078b
_cod_original_cell_volume        951.6(4)
_cod_original_formula_sum        'C10 H14 O1'
_cod_database_code               2101880
Structural Model of the Orthorhombic Non-Fibonacci Approximant in the Al~12~Fe~2~Cr Alloy
Sui, H. X.; Liao, X. Z.; Kuo, K. H.; Zou, X.; Hovmöller, S.; Acta Crystallographica Section B 53 (1997) 587–595; doi:10.1107/S0108768197000220

data_2101903
_publ_section_title
;
 Structural Model of the Orthorhombic Non-Fibonacci Approximant in the
 Al~12~Fe~2~Cr Alloy
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              587
_journal_page_last               595
_journal_paper_doi               10.1107/S0108768197000220
_journal_volume                  53
_journal_year                    1997
_chemical_formula_sum            'Al12 Cr Fe2'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'I 2 -2'
_symmetry_space_group_name_H-M   'I m m 2'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            20
_cell_length_a                   12.34
_cell_length_b                   12.41
_cell_length_c                   30.71
_cell_volume                     4702.911
_diffrn_radiation_type           electron
_exptl_crystal_density_diffrn    3.4
_cod_data_source_file            zh0014.cif
_cod_data_source_block           zh0014a
_cod_original_cell_volume        4701
_cod_original_formula_sum        'Al12 Cr1 Fe2'
_cod_database_code               2101903
Structure and Thermal Vibrations of Spermine Phosphate Hexahydrate from Neutron Diffraction Data at 125K
Cohen, A. E.; Craven, B. M.; Klooster, W. T.; Acta Crystallographica Section B 53 (1997) 787–794; doi:10.1107/S0108768197005892

data_2101911
_publ_section_title
;
 Structure and Thermal Vibrations of Spermine Phosphate Hexahydrate
 from Neutron Diffraction Data at 125K
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              787
_journal_page_last               794
_journal_paper_doi               10.1107/S0108768197005892
_journal_volume                  53
_journal_year                    1997
_chemical_formula_moiety         'C10 H30 N4 4+, 2H P O4 2-, 6H2 O'
_chemical_formula_sum            'C10 H44 N4 O14 P2'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90.0
_cell_angle_beta                 113.44(2)
_cell_angle_gamma                90.0
_cell_formula_units_Z            2
_cell_length_a                   7.9310(10)
_cell_length_b                   23.158(5)
_cell_length_c                   6.856(2)
_cell_volume                     1155.3(5)
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           neutron
_diffrn_radiation_wavelength     1.16395(10)
_exptl_absorpt_coefficient_mu    0.345
_cod_data_source_file            bk0042.cif
_cod_data_source_block           bk0042a
_cod_depositor_comments
;
 Marking atoms 'H1W1', 'H3W1', 'H2W2' and 'H3W2' as having the occupancy
 of 0.5.

 Antanas Vaitkus,
 2017-01-18

 Adding the _atom_site_type_symbol data item.

 Antanas Vaitkus,
 2017-01-17
;
_cod_original_cell_volume        ?0
_cod_database_code               2101911
Radial Distribution of Electron Density in Magnetite, Fe~3~O~4~
Sasaki, S.; Acta Crystallographica Section B 53 (1997) 762–766; doi:10.1107/S0108768197007842

data_2101926
_publ_section_title
;
 Radial Distribution of Electron Density in Magnetite, Fe~3~O~4~
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              762
_journal_page_last               766
_journal_paper_doi               10.1107/S0108768197007842
_journal_volume                  53
_journal_year                    1997
_chemical_formula_sum            'Fe3 O4'
_chemical_formula_weight         231.54
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m {origin @ -3 m}'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            8
_cell_length_a                   8.375(2)
_cell_length_b                   8.375(2)
_cell_length_c                   8.375(2)
_cell_volume                     587.4(2)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    14.88
_exptl_crystal_density_diffrn    5.23
_exptl_crystal_F_000             880
_cod_data_source_file            oh0053.cif
_cod_data_source_block           oh0053a
_cod_original_cell_volume        587.4(4)
_cod_database_code               2101926
Structure Refinements of the Layered Intergrowth Phases Sb^III^Sb^V <i>x^</i><i>A</i>~1{-~<i>x</i>}TiO~6~ (<i>x</i>≃0, <i>A</i> = Ta, Nb) Using Synchrotron X-ray Powder Diffraction Data
Ling, Christopher; Thompson, John G.; Schmid, Siegbert; Cookson, David; Withers, Ray L.; Acta Crystallographica Section B 53 (1997) 861–869; doi:10.1107/S0108768197007787

data_2101927
_publ_section_title
;
 Structure Refinements of the Layered Intergrowth Phases Sb^III^Sb^V
 <i>x^</i><i>A</i>~1{-~<i>x</i>}TiO~6~ (<i>x</i>\\simeq 0, <i>A</i> =
 Ta, Nb) Using Synchrotron X-ray Powder Diffraction Data
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              861
_journal_page_last               869
_journal_paper_doi               10.1107/S0108768197007787
_journal_volume                  53
_journal_year                    1997
_chemical_formula_sum            'O6 Sb Ta Ti'
_chemical_formula_weight         449.50
_chemical_name_systematic
;
antimony tantalum titanium oxide
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.1727(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.57244(11)
_cell_length_b                   4.82608(3)
_cell_length_c                   5.48949(3)
_cell_measurement_temperature    293
_cell_volume                     438.957(5)
_computing_structure_refinement  GSAS
_diffrn_ambient_temperature      293
_diffrn_measurement_device       'image plates'
_diffrn_measurement_method       'Debye-Scherrer camera'
_diffrn_radiation_monochromator  'Si (111)'
_diffrn_radiation_source         synchrotron
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     1.2618
_exptl_absorpt_coefficient_mu    61.19
_exptl_absorpt_correction_type   'empirical (GSAS)'
_refine_ls_goodness_of_fit_all   12.14
_refine_ls_number_parameters     42
_cod_data_source_file            ab0373.cif
_cod_data_source_block           A=Ta
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'Sb Ta Ti O6'
_cod_database_code               2101927