LMucko/crystallography-open-database huggingface dataset:
The distribution of the deuterium atoms in the deuterated hexagonal laves-phase Zr Mn2 D3
Didisheim, J.J.; Shaltiel, D.; Yvon, K.; Fischer, P.; Solid State Communications 31 (1979) 47–50; doi:

data_1529804
_publ_section_title
;
 The distribution of the deuterium atoms in the deuterated hexagonal
 laves-phase Zr Mn2 D3
;
_journal_name_full               'Solid State Communications'
_journal_page_first              47
_journal_page_last               50
_journal_volume                  31
_journal_year                    1979
_chemical_formula_sum            'D2.748 Mn2 Zr'
_chemical_name_systematic        'Zr Mn2 D2.748'
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            4
_cell_length_a                   5.391
_cell_length_b                   5.391
_cell_length_c                   8.748
_cell_volume                     220.180
_citation_journal_id_ASTM        SSCOA4
_cod_data_source_file            Didisheim_SSCOA4_1979_423.cif
_cod_data_source_block           D2.748Mn2Zr1
_cod_original_cell_volume        220.1801
_cod_original_formula_sum        'D2.748 Mn2 Zr1'
_cod_database_code               1529804
Order-disorder phase transition in Zr V2 D3.6
Didisheim, J.J.; Yvon, K.; Fisher, P.; Tissot, P.; Solid State Communications 38 (1981) 637–641; doi:

data_1529805
_publ_section_title
;
 Order-disorder phase transition in Zr V2 D3.6
;
_journal_name_full               'Solid State Communications'
_journal_page_first              637
_journal_page_last               641
_journal_volume                  38
_journal_year                    1981
_chemical_formula_sum            'D3.6 V2 Zr'
_chemical_name_systematic        'Zr V2 D3.6'
_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            4
_cell_length_a                   5.484
_cell_length_b                   5.484
_cell_length_c                   7.902
_cell_volume                     237.647
_citation_journal_id_ASTM        SSCOA4
_cod_data_source_file            Didisheim_SSCOA4_1981_697.cif
_cod_data_source_block           D3.6V2Zr1
_cod_original_cell_volume        237.6468
_cod_original_formula_sum        'D3.6 V2 Zr1'
_cod_database_code               1529805
A single crystal neutron diffraction study of the distibution and thermal motion of silver ions in alphaand beta-Ag3 S I
Didisheim, J.J.; McMullan, R.K.; Wuensch, B.J.; Solid State Ionics 1819 (1986) 1150–1162; doi:

data_1529806
_publ_section_title
;
 A single crystal neutron diffraction study of the distibution and thermal
 motion of silver ions in alphaand beta-Ag3 S I
;
_journal_name_full               'Solid State Ionics'
_journal_page_first              1150
_journal_page_last               1162
_journal_volume                  1819
_journal_year                    1986
_chemical_formula_sum            'Ag3.18 I S'
_chemical_name_systematic        'Ag3.18 S I'
_space_group_IT_number           229
_symmetry_space_group_name_Hall  '-I 4 2 3'
_symmetry_space_group_name_H-M   'I m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   4.946
_cell_length_b                   4.946
_cell_length_c                   4.946
_cell_volume                     120.994
_citation_journal_id_ASTM        SSIOD3
_cod_data_source_file            Didisheim_SSIOD3_1986_1345.cif
_cod_data_source_block           Ag3.18I1S1
_cod_original_cell_volume        120.9936
_cod_original_formula_sum        'Ag3.18 I1 S1'
_cod_database_code               1529806
A single crystal neutron diffraction study of the distibution and thermal motion of silver ions in alphaand beta-Ag3 S I
Didisheim, J.J.; Wuensch, B.J.; McMullan, R.K.; Solid State Ionics 1819 (1986) 1150–1162; doi:

data_1529807
_publ_section_title
;
 A single crystal neutron diffraction study of the distibution and thermal
 motion of silver ions in alphaand beta-Ag3 S I
;
_journal_name_full               'Solid State Ionics'
_journal_page_first              1150
_journal_page_last               1162
_journal_volume                  1819
_journal_year                    1986
_chemical_formula_sum            'Ag3.58 I S'
_chemical_name_systematic        'Ag3.58 S I'
_space_group_IT_number           229
_symmetry_space_group_name_Hall  '-I 4 2 3'
_symmetry_space_group_name_H-M   'I m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   4.97
_cell_length_b                   4.97
_cell_length_c                   4.97
_cell_volume                     122.763
_citation_journal_id_ASTM        SSIOD3
_cod_data_source_file            Didisheim_SSIOD3_1986_1346.cif
_cod_data_source_block           Ag3.58I1S1
_cod_original_cell_volume        122.7635
_cod_original_formula_sum        'Ag3.58 I1 S1'
_cod_database_code               1529807
Neutron Rietveld analysis of structural changes in NASICON solid solutions Na1+x Zr2 Six P3-x O12 at elevated temperatures: x=1.6 and 2.0 at 320C
Didisheim, J.J.; Prince, E.; Wuensch, B.J.; Solid State Ionics 1819 (1986) 944–958; doi:

data_1529808
_publ_section_title
;
 Neutron Rietveld analysis of structural changes in NASICON solid
 solutions Na1+x Zr2 Six P3-x O12 at elevated temperatures: x=1.6 and 2.0
 at 320C
;
_journal_name_full               'Solid State Ionics'
_journal_page_first              944
_journal_page_last               958
_journal_volume                  1819
_journal_year                    1986
_chemical_formula_sum            'Na2.6 O12 P1.4 Si1.6 Zr2'
_chemical_name_systematic        'Na2.6 Zr2 Si1.6 P1.4 O12'
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   9.0038
_cell_length_b                   9.0038
_cell_length_c                   23.0974
_cell_volume                     1621.606
_citation_journal_id_ASTM        SSIOD3
_cod_data_source_file            Didisheim_SSIOD3_1986_1357.cif
_cod_data_source_block           Na2.6O12P1.4Si1.6Zr2
_cod_database_code               1529808
Neutron Rietveld analysis of structural changes in NASICON solid solutions Na1+x Zr2 Six P3-x O12 at elevated temperatures: x=1.6 and 2.0 at 320C
Didisheim, J.J.; Prince, E.; Wuensch, B.J.; Solid State Ionics 1819 (1986) 944–958; doi:

data_1529809
_publ_section_title
;
 Neutron Rietveld analysis of structural changes in NASICON solid
 solutions Na1+x Zr2 Six P3-x O12 at elevated temperatures: x=1.6 and 2.0
 at 320C
;
_journal_name_full               'Solid State Ionics'
_journal_page_first              944
_journal_page_last               958
_journal_volume                  1819
_journal_year                    1986
_chemical_formula_sum            'Na3 O12 P Si2 Zr2'
_chemical_name_systematic        'Na3 Zr2 Si2 P O12'
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   9.0535
_cell_length_b                   9.0535
_cell_length_c                   23.0677
_cell_volume                     1637.450
_citation_journal_id_ASTM        SSIOD3
_cod_data_source_file            Didisheim_SSIOD3_1986_1358.cif
_cod_data_source_block           Na3O12P1Si2Zr2
_cod_original_cell_volume        1637.45
_cod_original_formula_sum        'Na3 O12 P1 Si2 Zr2'
_cod_database_code               1529809
Refinement of the crystal structure of Fe3 B O6
Diehl, R.; Brandt, G.; Acta Crystallographica B (24,1968-38,1982) 31 (1975) 1662–1665; doi:

data_2106672
_publ_section_title
;
 Refinement of the crystal structure of Fe3 B O6
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1662
_journal_page_last               1665
_journal_volume                  31
_journal_year                    1975
_chemical_formula_sum            'B Fe3 O6'
_chemical_name_systematic        'Fe3 B O6'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.048
_cell_length_b                   8.531
_cell_length_c                   4.466
_cell_volume                     382.823
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Diehl_ACBCAR_1975_36.cif
_cod_data_source_block           B1Fe3O6
_cod_original_cell_volume        382.8233
_cod_original_formula_sum        'B1 Fe3 O6'
_cod_database_code               2106672
Die Kristallstruktur von H.T.-Ge S2
Dittmar, G.; Schaefer, H.; Acta Crystallographica B (24,1968-38,1982) 31 (1975) 2060–2064; doi:

data_2106673
_publ_section_title
;
 Die Kristallstruktur von H.T.-Ge S2
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              2060
_journal_page_last               2064
_journal_volume                  31
_journal_year                    1975
_chemical_formula_sum            'Ge S2'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.88
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   6.72
_cell_length_b                   16.101
_cell_length_c                   11.436
_cell_volume                     1237.215
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Dittmar_ACBCAR_1975_61.cif
_cod_data_source_block           Ge1S2
_cod_original_formula_sum        'Ge1 S2'
_cod_database_code               2106673
Structure of the Dimer Compounds Cs3 R2 Br9 (R= Tb, Dy, Ho, Er, Yb) at 8 and 295 K Studied by Neutron Diffraction
Doenni, A.; Furrer, A.; Guedel, H.U.; Journal of Solid State Chemistry 81 (1989) 278–284; doi:

data_1529810
_publ_section_title
;
 Structure of the Dimer Compounds Cs3 R2 Br9 (R= Tb, Dy, Ho, Er, Yb) at 8
 and 295 K Studied by Neutron Diffraction
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              278
_journal_page_last               284
_journal_volume                  81
_journal_year                    1989
_chemical_formula_sum            'Br9 Cs3 Tb2'
_chemical_name_systematic        'Cs3 Tb2 Br9'
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   13.541
_cell_length_b                   13.541
_cell_length_c                   19.07
_cell_volume                     3028.188
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Doenni_JSSCBI_1989_1884.cif
_cod_data_source_block           Br9Cs3Tb2
_cod_database_code               1529810
Structure of the Dimer Compounds Cs3 R2 Br9 (R= Tb, Dy, Ho, Er, Yb) at 8 and 295 K Studied by Neutron Diffraction
Doenni, A.; Furrer, A.; Guedel, H.U.; Journal of Solid State Chemistry 81 (1989) 278–284; doi:

data_1529811
_publ_section_title
;
 Structure of the Dimer Compounds Cs3 R2 Br9 (R= Tb, Dy, Ho, Er, Yb) at 8
 and 295 K Studied by Neutron Diffraction
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              278
_journal_page_last               284
_journal_volume                  81
_journal_year                    1989
_chemical_formula_sum            'Br9 Cs3 Ho2'
_chemical_name_systematic        'Cs3 Ho2 Br9'
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   13.467
_cell_length_b                   13.467
_cell_length_c                   19.09
_cell_volume                     2998.322
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Doenni_JSSCBI_1989_1886.cif
_cod_data_source_block           Br9Cs3Ho2
_cod_database_code               1529811
Structure of the Dimer Compounds Cs3 R2 Br9 (R= Tb, Dy, Ho, Er, Yb) at 8 and 295 K Studied by Neutron Diffraction
Doenni, A.; Furrer, A.; Guedel, H.U.; Journal of Solid State Chemistry 81 (1989) 278–284; doi:

data_1529812
_publ_section_title
;
 Structure of the Dimer Compounds Cs3 R2 Br9 (R= Tb, Dy, Ho, Er, Yb) at 8
 and 295 K Studied by Neutron Diffraction
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              278
_journal_page_last               284
_journal_volume                  81
_journal_year                    1989
_chemical_formula_sum            'Br9 Cs3 Er2'
_chemical_name_systematic        'Cs3 Er2 Br9'
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   13.44
_cell_length_b                   13.44
_cell_length_c                   19.07
_cell_volume                     2983.183
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Doenni_JSSCBI_1989_1887.cif
_cod_data_source_block           Br9Cs3Er2
_cod_database_code               1529812
The crystal chemistry of silica-rich, alkali-deficient nepheline
Dollase, W.A.; Thomas, W.M.; Contributions to Mineralogy and Petrology (23,1969-) 66 (1978) 311–318; doi:

data_1529813
_publ_section_title
;
 The crystal chemistry of silica-rich, alkali-deficient nepheline
;
_journal_name_full
'Contributions to Mineralogy and Petrology (23,1969-)'
_journal_page_first              311
_journal_page_last               318
_journal_volume                  66
_journal_year                    1978
_chemical_formula_sum            'Al6.24 Na7.26 O31.98 Si9.76'
_chemical_name_systematic        'Na6.65 Al6.24 Si9.76 O32'
_space_group_IT_number           173
_symmetry_space_group_name_Hall  'P 6c'
_symmetry_space_group_name_H-M   'P 63'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   9.968
_cell_length_b                   9.968
_cell_length_c                   8.356
_cell_volume                     719.027
_citation_journal_id_ASTM        CMPEAP
_cod_data_source_file            Dollase_CMPEAP_1978_452.cif
_cod_data_source_block           Al6.24Na7.26O31.98Si9.76
_cod_original_cell_volume        719.0269
_cod_database_code               1529813
Structure of Na3-3x P O4, x = 0 to 0.5
Dollase, W.A.; Merwin, L.H.; Sebald, A.; Journal of Solid State Chemistry 83 (1989) 140–149; doi:

data_1529814
_publ_section_title
;
 Structure of Na3-3x P O4, x = 0 to 0.5
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              140
_journal_page_last               149
_journal_volume                  83
_journal_year                    1989
_chemical_formula_sum            'Al0.09 Na2.73 O4 P'
_chemical_name_systematic        'Na2.73 Al0.09 P O4'
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.411
_cell_length_b                   7.411
_cell_length_c                   7.411
_cell_volume                     407.034
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Dollase_JSSCBI_1989_1881.cif
_cod_data_source_block           Al0.09Na2.73O4P1
_cod_original_cell_volume        407.0337
_cod_original_formula_sum        'Al0.09 Na2.73 O4 P1'
_cod_database_code               1529814
Structure of Na3-3x P O4, x = 0 to 0.5
Dollase, W.A.; Merwin, L.H.; Sebald, A.; Journal of Solid State Chemistry 83 (1989) 140–149; doi:

data_1529815
_publ_section_title
;
 Structure of Na3-3x P O4, x = 0 to 0.5
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              140
_journal_page_last               149
_journal_volume                  83
_journal_year                    1989
_chemical_formula_sum            'Al0.29 Na2.13 O4 P'
_chemical_name_systematic        'Na2.13 Al0.29 (P O4)'
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.404
_cell_length_b                   7.404
_cell_length_c                   7.404
_cell_volume                     405.881
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Dollase_JSSCBI_1989_1882.cif
_cod_data_source_block           Al0.29Na2.13O4P1
_cod_original_cell_volume        405.8814
_cod_original_formula_sum        'Al0.29 Na2.13 O4 P1'
_cod_database_code               1529815
Structure of Na3-3x P O4, x = 0 to 0.5
Dollase, W.A.; Sebald, A.; Merwin, L.H.; Journal of Solid State Chemistry 83 (1989) 140–149; doi:

data_1529816
_publ_section_title
;
 Structure of Na3-3x P O4, x = 0 to 0.5
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              140
_journal_page_last               149
_journal_volume                  83
_journal_year                    1989
_chemical_formula_sum            'Al0.43 Na1.71 O4 P'
_chemical_name_systematic        'Na1.71 Al0.43 (P O4)'
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.394
_cell_length_b                   7.394
_cell_length_c                   7.394
_cell_volume                     404.239
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Dollase_JSSCBI_1989_1883.cif
_cod_data_source_block           Al0.43Na1.71O4P1
_cod_original_cell_volume        404.2391
_cod_original_formula_sum        'Al0.43 Na1.71 O4 P1'
_cod_database_code               1529816
Ueber das system Ba F2 / Ga F3. Zur Kenntnis von Ba Ga F5
Domesle, R.; Hoppe, R.; Revue de Chimie Minerale 15 (1978) 439–458; doi:

data_1529817
_publ_section_title
;
 Ueber das system Ba F2 / Ga F3. Zur Kenntnis von Ba Ga F5
;
_journal_name_full               'Revue de Chimie Minerale'
_journal_page_first              439
_journal_page_last               458
_journal_volume                  15
_journal_year                    1978
_chemical_formula_sum            'Ba F5 Ga'
_chemical_name_systematic        'Ba Ga F5'
_space_group_IT_number           19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.93
_cell_length_b                   5.66
_cell_length_c                   4.978
_cell_volume                     392.484
_citation_journal_id_ASTM        RVCMA8
_cod_data_source_file            Domesle_RVCMA8_1978_313.cif
_cod_data_source_block           Ba1F5Ga1
_cod_original_cell_volume        392.4844
_cod_original_formula_sum        'Ba1 F5 Ga1'
_cod_database_code               1529817
X-ray crystal structure determinations of two thiourea tin(II) complexes: Diacetobis(thiourea)tin(II) and ditin(II)tetrabromopenta(thiourea)dihydrate
Donaldson, J.D.; Grimes, S.M.; Calogero, S.; Russo, U.; Valle, G.; Smith, P.J.; Inorganica Chimica Acta 84 (1984) 173–177; doi:

data_1529818
_publ_section_title
;
 X-ray crystal structure determinations of two thiourea tin(II) complexes:
 Diacetobis(thiourea)tin(II) and
 ditin(II)tetrabromopenta(thiourea)dihydrate
;
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              173
_journal_page_last               177
_journal_volume                  84
_journal_year                    1984
_chemical_formula_sum            'C5 H24 Br4 N10 O2 S5 Sn2'
_chemical_name_systematic        'Sn2 Br4 (S C (N H2)2)5 (H2 O)2'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   27.83
_cell_length_b                   16.13
_cell_length_c                   6.11
_cell_volume                     2742.766
_citation_journal_id_ASTM        ICHAA3
_cod_data_source_file            Donaldson_ICHAA3_1984_1017.cif
_cod_data_source_block           C5H24Br4N10O2S5Sn2
_cod_database_code               1529818
The crystal structures of tritin(II) bromide pentafluoride and ditin(II) chloride trifluoride
Donaldson, J.D.; Laughlin, D.R.; Puxley, D.C.; Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-) 1977 (1977) 865–868; doi:

data_4031431
_publ_section_title
;
 The crystal structures of tritin(II) bromide pentafluoride and ditin(II)
 chloride trifluoride
;
_journal_name_full
;
Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry 
(1972-)
;
_journal_page_first              865
_journal_page_last               868
_journal_volume                  1977
_journal_year                    1977
_chemical_formula_sum            'Br F5 Sn3'
_chemical_name_systematic        'Sn3 Br F5'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.27
_cell_length_b                   12.7
_cell_length_c                   12.7
_cell_volume                     688.708
_citation_journal_id_ASTM        JCDTBI
_cod_data_source_file            Donaldson_JCDTBI_1977_129.cif
_cod_data_source_block           Br1F5Sn3
_cod_original_cell_volume        688.7083
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_original_formula_sum        'Br1 F5 Sn3'
_cod_database_code               4031431