LMucko/crystallography-open-database huggingface dataset:
Neutron diffraction study of delta-AlOOD at high pressure and its implication for symmetrization of the hydrogen bond Note: P = 2.0 GPa Locality: synthetic
Furukawa, A. S.; Komatsu, K.; Vanpeteghem, C. B.; Ohtani, E.; American Mineralogist 93 (2008) 1558–1567; doi:10.2138/am.2008.2849

data_9013177
_publ_section_title
;Neutron diffraction study of delta-AlOOD at high pressure and its implication
 for symmetrization of the hydrogen bond Note: P = 2.0 GPa Locality: synthetic
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1558
_journal_page_last               1567
_journal_paper_doi               10.2138/am.2008.2849
_journal_volume                  93
_journal_year                    2008
_chemical_formula_sum            'Al D0.744 H0.256 O2'
_chemical_name_common            delta-AlOOD
_space_group_IT_number           31
_symmetry_space_group_name_Hall  'P -2 2ac'
_symmetry_space_group_name_H-M   'P 21 n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.6969
_cell_length_b                   4.2133
_cell_length_c                   2.8243
_cell_formula_units_Z            2
_cell_volume                     55.891
_diffrn_ambient_pressure         2e+06
_exptl_crystal_density_diffrn    3.609
_cod_original_formula_sum        'Al O2 (D.744 H.256)'
_cod_database_code               9013177
_database_code_amcsd 0004664
Neutron diffraction study of delta-AlOOD at high pressure and its implication for symmetrization of the hydrogen bond Note: P = 3.5 GPa Locality: synthetic
Furukawa, A. S.; Komatsu, K.; Vanpeteghem, C. B.; Ohtani, E.; American Mineralogist 93 (2008) 1558–1567; doi:10.2138/am.2008.2849

data_9013178
_publ_section_title
;Neutron diffraction study of delta-AlOOD at high pressure and its implication
 for symmetrization of the hydrogen bond Note: P = 3.5 GPa Locality: synthetic
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1558
_journal_page_last               1567
_journal_paper_doi               10.2138/am.2008.2849
_journal_volume                  93
_journal_year                    2008
_chemical_formula_sum            'Al D0.744 H0.256 O2'
_chemical_name_common            delta-AlOOD
_space_group_IT_number           31
_symmetry_space_group_name_Hall  'P -2 2ac'
_symmetry_space_group_name_H-M   'P 21 n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.6827
_cell_length_b                   4.1962
_cell_length_c                   2.8181
_cell_formula_units_Z            2
_cell_volume                     55.374
_diffrn_ambient_pressure         3.5e+06
_exptl_crystal_density_diffrn    3.643
_cod_original_formula_sum        'Al O2 (D.744 H.256)'
_cod_database_code               9013178
_database_code_amcsd 0004665
Neutron diffraction study of delta-AlOOD at high pressure and its implication for symmetrization of the hydrogen bond Note: P = 4.7 GPa Locality: synthetic
Furukawa, A. S.; Komatsu, K.; Vanpeteghem, C. B.; Ohtani, E.; American Mineralogist 93 (2008) 1558–1567; doi:10.2138/am.2008.2849

data_9013179
_publ_section_title
;Neutron diffraction study of delta-AlOOD at high pressure and its implication
 for symmetrization of the hydrogen bond Note: P = 4.7 GPa Locality: synthetic
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1558
_journal_page_last               1567
_journal_paper_doi               10.2138/am.2008.2849
_journal_volume                  93
_journal_year                    2008
_chemical_formula_sum            'Al D0.744 H0.256 O2'
_chemical_name_common            delta-AlOOD
_space_group_IT_number           31
_symmetry_space_group_name_Hall  'P -2 2ac'
_symmetry_space_group_name_H-M   'P 21 n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.6706
_cell_length_b                   4.1836
_cell_length_c                   2.8129
_cell_formula_units_Z            2
_cell_volume                     54.964
_diffrn_ambient_pressure         4.7e+06
_exptl_crystal_density_diffrn    3.670
_cod_original_formula_sum        'Al O2 (D.744 H.256)'
_cod_database_code               9013179
_database_code_amcsd 0004666
Neutron diffraction study of delta-AlOOD at high pressure and its implication for symmetrization of the hydrogen bond Note: P = 6.0 GPa Locality: synthetic
Furukawa, A. S.; Komatsu, K.; Vanpeteghem, C. B.; Ohtani, E.; American Mineralogist 93 (2008) 1558–1567; doi:10.2138/am.2008.2849

data_9013180
_publ_section_title
;Neutron diffraction study of delta-AlOOD at high pressure and its implication
 for symmetrization of the hydrogen bond Note: P = 6.0 GPa Locality: synthetic
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1558
_journal_page_last               1567
_journal_paper_doi               10.2138/am.2008.2849
_journal_volume                  93
_journal_year                    2008
_chemical_formula_sum            'Al D0.744 H0.256 O2'
_chemical_name_common            delta-AlOOD
_space_group_IT_number           31
_symmetry_space_group_name_Hall  'P -2 2ac'
_symmetry_space_group_name_H-M   'P 21 n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.6601
_cell_length_b                   4.1711
_cell_length_c                   2.8076
_cell_formula_units_Z            2
_cell_volume                     54.573
_diffrn_ambient_pressure         6e+06
_exptl_crystal_density_diffrn    3.696
_cod_original_formula_sum        'Al O2 (D.744 H.256)'
_cod_database_code               9013180
_database_code_amcsd 0004667
Neutron diffraction study of delta-AlOOD at high pressure and its implication for symmetrization of the hydrogen bond Note: P = 7.0 GPa Locality: synthetic
Furukawa, A. S.; Komatsu, K.; Vanpeteghem, C. B.; Ohtani, E.; American Mineralogist 93 (2008) 1558–1567; doi:10.2138/am.2008.2849

data_9013181
_publ_section_title
;Neutron diffraction study of delta-AlOOD at high pressure and its implication
 for symmetrization of the hydrogen bond Note: P = 7.0 GPa Locality: synthetic
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1558
_journal_page_last               1567
_journal_paper_doi               10.2138/am.2008.2849
_journal_volume                  93
_journal_year                    2008
_chemical_formula_sum            'Al D0.744 H0.256 O2'
_chemical_name_common            delta-AlOOD
_space_group_IT_number           31
_symmetry_space_group_name_Hall  'P -2 2ac'
_symmetry_space_group_name_H-M   'P 21 n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.6506
_cell_length_b                   4.1610
_cell_length_c                   2.8033
_cell_formula_units_Z            2
_cell_volume                     54.247
_diffrn_ambient_pressure         7e+06
_exptl_crystal_density_diffrn    3.718
_cod_original_formula_sum        'Al O2 (D.744 H.256)'
_cod_database_code               9013181
_database_code_amcsd 0004668
Neutron diffraction study of delta-AlOOD at high pressure and its implication for symmetrization of the hydrogen bond Note: P = 7. 9 GPa Locality: synthetic
Furukawa, A. S.; Komatsu, K.; Vanpeteghem, C. B.; Ohtani, E.; American Mineralogist 93 (2008) 1558–1567; doi:10.2138/am.2008.2849

data_9013182
_publ_section_title
;Neutron diffraction study of delta-AlOOD at high pressure and its implication
 for symmetrization of the hydrogen bond Note: P = 7. 9 GPa Locality:
 synthetic
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1558
_journal_page_last               1567
_journal_paper_doi               10.2138/am.2008.2849
_journal_volume                  93
_journal_year                    2008
_chemical_formula_sum            'Al D0.744 H0.256 O2'
_chemical_name_common            delta-AlOOD
_space_group_IT_number           31
_symmetry_space_group_name_Hall  'P -2 2ac'
_symmetry_space_group_name_H-M   'P 21 n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.6432
_cell_length_b                   4.1529
_cell_formula_units_Z            2
_cell_length_c                   2.8000
_cell_volume                     53.992
_exptl_crystal_density_diffrn    3.736
_cod_original_formula_sum        'Al O2 (D.744 H.256)'
_cod_database_code               9013182
_database_code_amcsd 0004669
Neutron diffraction study of delta-AlOOD at high pressure and its implication for symmetrization of the hydrogen bond Note: P = 8.4 GPa Locality: synthetic
Furukawa, A. S.; Komatsu, K.; Vanpeteghem, C. B.; Ohtani, E.; American Mineralogist 93 (2008) 1558–1567; doi:10.2138/am.2008.2849

data_9013183
_publ_section_title
;Neutron diffraction study of delta-AlOOD at high pressure and its implication
 for symmetrization of the hydrogen bond Note: P = 8.4 GPa Locality: synthetic
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1558
_journal_page_last               1567
_journal_paper_doi               10.2138/am.2008.2849
_journal_volume                  93
_journal_year                    2008
_chemical_formula_sum            'Al D0.744 H0.256 O2'
_chemical_name_common            delta-AlOOD
_space_group_IT_number           31
_symmetry_space_group_name_Hall  'P -2 2ac'
_symmetry_space_group_name_H-M   'P 21 n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.6393
_cell_length_b                   4.1477
_cell_length_c                   2.7978
_cell_formula_units_Z            2
_cell_volume                     53.836
_diffrn_ambient_pressure         8.4e+06
_exptl_crystal_density_diffrn    3.747
_cod_original_formula_sum        'Al O2 (D.744 H.256)'
_cod_database_code               9013183
_database_code_amcsd 0004670
Neutron diffraction study of delta-AlOOD at high pressure and its implication for symmetrization of the hydrogen bond Note: P = 8.9 GPa Locality: synthetic
Furukawa, A. S.; Komatsu, K.; Vanpeteghem, C. B.; Ohtani, E.; American Mineralogist 93 (2008) 1558–1567; doi:10.2138/am.2008.2849

data_9013184
_publ_section_title
;Neutron diffraction study of delta-AlOOD at high pressure and its implication
 for symmetrization of the hydrogen bond Note: P = 8.9 GPa Locality: synthetic
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1558
_journal_page_last               1567
_journal_paper_doi               10.2138/am.2008.2849
_journal_volume                  93
_journal_year                    2008
_chemical_formula_sum            'Al D0.744 H0.256 O2'
_chemical_name_common            delta-AlOOD
_space_group_IT_number           31
_symmetry_space_group_name_Hall  'P -2 2ac'
_symmetry_space_group_name_H-M   'P 21 n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.6357
_cell_length_b                   4.1434
_cell_length_c                   2.7961
_cell_formula_units_Z            2
_cell_volume                     53.706
_diffrn_ambient_pressure         8.9e+06
_exptl_crystal_density_diffrn    3.756
_cod_original_formula_sum        'Al O2 (D.744 H.256)'
_cod_database_code               9013184
_database_code_amcsd 0004671
Neutron diffraction study of delta-AlOOD at high pressure and its implication for symmetrization of the hydrogen bond Note: P = 9.2 GPa Locality: synthetic
Furukawa, A. S.; Komatsu, K.; Vanpeteghem, C. B.; Ohtani, E.; American Mineralogist 93 (2008) 1558–1567; doi:10.2138/am.2008.2849

data_9013185
_publ_section_title
;Neutron diffraction study of delta-AlOOD at high pressure and its implication
 for symmetrization of the hydrogen bond Note: P = 9.2 GPa Locality: synthetic
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1558
_journal_page_last               1567
_journal_paper_doi               10.2138/am.2008.2849
_journal_volume                  93
_journal_year                    2008
_chemical_formula_sum            'Al D0.744 H0.256 O2'
_chemical_name_common            delta-AlOOD
_space_group_IT_number           31
_symmetry_space_group_name_Hall  'P -2 2ac'
_symmetry_space_group_name_H-M   'P 21 n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.6328
_cell_length_b                   4.1401
_cell_length_c                   2.7947
_cell_formula_units_Z            2
_cell_volume                     53.603
_diffrn_ambient_pressure         9.2e+06
_exptl_crystal_density_diffrn    3.763
_cod_original_formula_sum        'Al O2 (D.744 H.256)'
_cod_database_code               9013185
_database_code_amcsd 0004672
Leucite at high pressure: Elastic behavior, phase stability, and petrological implications Locality: Sabatini volcanic district, Lazium, Italy Note: P = 0.0001 GPa in air
Gatta, G. D.; Rotiroti, N.; Ballaran, T. B.; Pavese, A.; American Mineralogist 93 (2008) 1588–1596; doi:10.2138/am.2008.2932

data_9013186
_publ_section_title
;
 Leucite at high pressure: Elastic behavior, phase stability,
 and petrological implications
 Locality: Sabatini volcanic district, Lazium, Italy
 Note: P = 0.0001 GPa in air
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1588
_journal_page_last               1596
_journal_paper_doi               10.2138/am.2008.2932
_journal_volume                  93
_journal_year                    2008
_chemical_formula_sum            'Al0.99 Fe0.009 K0.948 Na0.026 O6 Si2.001'
_chemical_name_mineral           Leucite
_space_group_IT_number           88
_symmetry_space_group_name_Hall  '-I 4ad'
_symmetry_space_group_name_H-M   'I 41/a :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   13.084
_cell_length_b                   13.084
_cell_length_c                   13.784
_cell_formula_units_Z            16
_cell_volume                     2359.698
_diffrn_ambient_pressure         100
_exptl_crystal_density_diffrn    2.444
_exptl_crystal_pressure_history  'P = 0.0001 GPa in air'
_cod_depositor_comments
;
 Adding _atom_site_type_symbol label and values.

 Antanas Vaitkus
 2013-03-31
;
_cod_original_sg_symbol_H-M      'I 41/a'
_cod_original_formula_sum        'K.948 Na.026 (Fe.009 Al.99 Si2.001) O6'
_cod_database_code               9013186
_database_code_amcsd 0004673
Leucite at high pressure: Elastic behavior, phase stability, and petrological implications Note: P = 0.0001 GPa in diamond cell
Gatta, G. D.; Rotiroti, N.; Ballaran, T. B.; Pavese, A.; American Mineralogist 93 (2008) 1588–1596; doi:10.2138/am.2008.2932

data_9013187
_publ_section_title
;
 Leucite at high pressure: Elastic behavior, phase stability,
 and petrological implications
 Note: P = 0.0001 GPa in diamond cell
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1588
_journal_page_last               1596
_journal_paper_doi               10.2138/am.2008.2932
_journal_volume                  93
_journal_year                    2008
_chemical_compound_source        'Sabatini volcanic district, Lazium, Italy'
_chemical_formula_sum            'Al0.99 Fe0.009 K0.948 Na0.026 O6 Si2.001'
_chemical_name_mineral           Leucite
_space_group_IT_number           88
_symmetry_space_group_name_Hall  '-I 4ad'
_symmetry_space_group_name_H-M   'I 41/a :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   13.097
_cell_length_b                   13.097
_cell_length_c                   13.755
_cell_volume                     2359.415
_database_code_amcsd             0004674
_diffrn_ambient_pressure         100
_exptl_crystal_density_diffrn    2.444
_exptl_crystal_pressure_history  'P = 0.0001 GPa in diamond cell'
_cod_original_sg_symbol_H-M      'I 41/a'
_cod_original_formula_sum        'K.948 Na.026 (Fe.009 Al.99 Si2.001) O6'
_cod_database_code               9013187
Leucite at high pressure: Elastic behavior, phase stability, and petrological implications Note: P = 0.38 GPa
Gatta, G. D.; Rotiroti, N.; Ballaran, T. B.; Pavese, A.; American Mineralogist 93 (2008) 1588–1596; doi:10.2138/am.2008.2932

data_9013188
_publ_section_title
;
 Leucite at high pressure: Elastic behavior, phase stability,
 and petrological implications
 Note: P = 0.38 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1588
_journal_page_last               1596
_journal_paper_doi               10.2138/am.2008.2932
_journal_volume                  93
_journal_year                    2008
_chemical_compound_source        'Sabatini volcanic district, Lazium, Italy'
_chemical_formula_sum            'Al0.99 Fe0.009 K0.948 Na0.026 O6 Si2.001'
_chemical_name_mineral           Leucite
_space_group_IT_number           88
_symmetry_space_group_name_Hall  '-I 4ad'
_symmetry_space_group_name_H-M   'I 41/a :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   13.053
_cell_length_b                   13.053
_cell_length_c                   13.732
_cell_volume                     2339.669
_database_code_amcsd             0004675
_diffrn_ambient_pressure         3.8e+05
_exptl_crystal_density_diffrn    2.465
_cod_original_sg_symbol_H-M      'I 41/a'
_cod_original_formula_sum        'K.948 Na.026 (Fe.009 Al.99 Si2.001) O6'
_cod_database_code               9013188
Leucite at high pressure: Elastic behavior, phase stability, and petrological implications Note: P = 1.20 GPa
Gatta, G. D.; Rotiroti, N.; Ballaran, T. B.; Pavese, A.; American Mineralogist 93 (2008) 1588–1596; doi:10.2138/am.2008.2932

data_9013189
_publ_section_title
;
 Leucite at high pressure: Elastic behavior, phase stability,
 and petrological implications
 Note: P = 1.20 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1588
_journal_page_last               1596
_journal_paper_doi               10.2138/am.2008.2932
_journal_volume                  93
_journal_year                    2008
_chemical_compound_source        'Sabatini volcanic district, Lazium, Italy'
_chemical_formula_sum            'Al0.99 Fe0.009 K0.948 Na0.026 O6 Si2.001'
_chemical_name_mineral           Leucite
_space_group_IT_number           88
_symmetry_space_group_name_Hall  '-I 4ad'
_symmetry_space_group_name_H-M   'I 41/a :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   12.955
_cell_length_b                   12.955
_cell_length_c                   13.684
_cell_volume                     2296.613
_database_code_amcsd             0004676
_diffrn_ambient_pressure         1.2e+06
_exptl_crystal_density_diffrn    2.511
_cod_original_sg_symbol_H-M      'I 41/a'
_cod_original_formula_sum        'K.948 Na.026 (Fe.009 Al.99 Si2.001) O6'
_cod_database_code               9013189
Leucite at high pressure: Elastic behavior, phase stability, and petrological implications Note: P = 1.77 GPa
Gatta, G. D.; Rotiroti, N.; Ballaran, T. B.; Pavese, A.; American Mineralogist 93 (2008) 1588–1596; doi:10.2138/am.2008.2932

data_9013190
_publ_section_title
;
 Leucite at high pressure: Elastic behavior, phase stability,
 and petrological implications
 Note: P = 1.77 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1588
_journal_page_last               1596
_journal_paper_doi               10.2138/am.2008.2932
_journal_volume                  93
_journal_year                    2008
_chemical_compound_source        'Sabatini volcanic district, Lazium, Italy'
_chemical_formula_sum            'Al0.99 Fe0.009 K0.948 Na0.026 O6 Si2.001'
_chemical_name_mineral           Leucite
_space_group_IT_number           88
_symmetry_space_group_name_Hall  '-I 4ad'
_symmetry_space_group_name_H-M   'I 41/a :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   12.891
_cell_length_b                   12.891
_cell_length_c                   13.653
_cell_volume                     2268.827
_database_code_amcsd             0004677
_diffrn_ambient_pressure         1.77e+06
_exptl_crystal_density_diffrn    2.542
_cod_original_cell_volume        2268.826
_cod_original_sg_symbol_H-M      'I 41/a'
_cod_original_formula_sum        'K.948 Na.026 (Fe.009 Al.99 Si2.001) O6'
_cod_database_code               9013190
Leucite at high pressure: Elastic behavior, phase stability, and petrological implications Note: P = .0001 GPa in air after decompression
Gatta, G. D.; Rotiroti, N.; Ballaran, T. B.; Pavese, A.; American Mineralogist 93 (2008) 1588–1596; doi:10.2138/am.2008.2932

data_9013191
_publ_section_title
;
 Leucite at high pressure: Elastic behavior, phase stability,
 and petrological implications
 Note: P =  .0001 GPa in air after decompression
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1588
_journal_page_last               1596
_journal_paper_doi               10.2138/am.2008.2932
_journal_volume                  93
_journal_year                    2008
_chemical_compound_source        'Sabatini volcanic district, Lazium, Italy'
_chemical_formula_sum            'Al0.99 Fe0.009 K0.948 Na0.026 O6 Si2.001'
_chemical_name_mineral           Leucite
_space_group_IT_number           88
_symmetry_space_group_name_Hall  '-I 4ad'
_symmetry_space_group_name_H-M   'I 41/a :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   13.073
_cell_length_b                   13.073
_cell_length_c                   13.731
_cell_volume                     2346.674
_database_code_amcsd             0004678
_diffrn_ambient_pressure         100
_exptl_crystal_density_diffrn    2.458
_exptl_crystal_pressure_history  'P = 0.0001 GPa in air after decompression'
_cod_original_sg_symbol_H-M      'I 41/a'
_cod_original_formula_sum        'K.948 Na.026 (Fe.009 Al.99 Si2.001) O6'
_cod_database_code               9013191
Demicheleite, BiSBr, a new mineral from La Fossa crater, Vulcano, Aeolian Islands, Italy
Demartin, F.; Gramaccioli, C. M.; Campostrini, I.; Orlandi, P.; American Mineralogist 93 (2008) 1603–1607; doi:10.2138/am.2008.2883

data_9013192
_publ_section_title
;
 Demicheleite, BiSBr, a new mineral from La Fossa crater, Vulcano,
 Aeolian Islands, Italy
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1603
_journal_page_last               1607
_journal_paper_doi               10.2138/am.2008.2883
_journal_volume                  93
_journal_year                    2008
_chemical_compound_source
'La Fossa crater, Vulcano, Aeolian Islands, Italy'
_chemical_formula_sum            'Bi0.99 Br0.67 Cl0.35 I0.02 S0.97'
_chemical_name_mineral           Demicheleite-(Br)
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2n'
_symmetry_space_group_name_H-M   'P n a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.0424
_cell_length_b                   9.8511
_cell_length_c                   4.0328
_cell_formula_units_Z            4
_cell_volume                     319.505
_database_code_amcsd             0004679
_exptl_crystal_density_diffrn    6.371
_cod_original_formula_sum        'Bi.99 S.97 Br.67 Cl.35 I.02'
_cod_database_code               9013192