LMucko/crystallography-open-database huggingface dataset:
Crystal structure of barylite, BaBe2Si2O7 Coordinates of x(O2), z(O3), x(O7), z(Be1) modified acording to ICSD
Abrashev, K. K.; Ilyukhin, V. V.; Belov, N. V.; Soviet Physics Crystallography 9 (1965) 691–699; doi:

data_9014081
_publ_section_title
;
 Crystal structure of barylite, BaBe2Si2O7
 Coordinates of x(O2), z(O3), x(O7), z(Be1) modified acording to ICSD
;
_journal_name_full               'Soviet Physics Crystallography'
_journal_page_first              691
_journal_page_last               699
_journal_volume                  9
_journal_year                    1965
_chemical_compound_source        'Vishnevye Hills, USSR'
_chemical_formula_sum            'Ba Be2 O7 Si2'
_chemical_name_mineral           Barylite
_space_group_IT_number           33
_symmetry_space_group_name_Hall  'P -2ac -2n'
_symmetry_space_group_name_H-M   'P n 21 a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.79
_cell_length_b                   11.01
_cell_length_c                   4.63
_cell_formula_units_Z            4
_cell_volume                     499.058
_database_code_amcsd             0019221
_exptl_crystal_density_diffrn    4.306
_cod_original_formula_sum        'Ba Be2 Si2 O7'
_cod_database_code               9014081
Position of cations and water molecules in hydrated chabazite. Natural and Na-, Ca-, Sr- and K-exchanged chabazites Note: Natural chabazite
Alberti, A.; Galli, E.; Vezzalini, G.; Passaglia, E.; Zanazzi, P. F.; Zeolites 2 (1982) 303–309; doi:10.1016/S0144-2449(82)80075-4

data_9014082
_publ_section_title
;
 Position of cations and water molecules in hydrated chabazite.
 Natural and Na-, Ca-, Sr- and K-exchanged chabazites
 Note: Natural chabazite
;
_journal_name_full               Zeolites
_journal_page_first              303
_journal_page_last               309
_journal_paper_doi               10.1016/S0144-2449(82)80075-4
_journal_volume                  2
_journal_year                    1982
_chemical_compound_source        'Keller, Nidda, Germany'
_chemical_formula_sum
'Al3.84 Ca1.6 H30.08 K0.17 Mg0.4 O39.04 Si8.16 Sr0.34'
_chemical_name_mineral           Chabazite-Ca
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-P 3* 2'
_symmetry_space_group_name_H-M   'R -3 m :R'
_cell_angle_alpha                94.14
_cell_angle_beta                 94.14
_cell_angle_gamma                94.14
_cell_formula_units_Z            1
_cell_length_a                   9.428
_cell_length_b                   9.428
_cell_length_c                   9.428
_cell_volume                     831.133
_database_code_amcsd             0017686
_exptl_crystal_density_diffrn    2.194
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum
'K.17 Mg.4 Ca1.6 Sr.34 (Al3.84 Si8.16) O39.04 H30.08'
_cod_database_code               9014082
Structure of pentarubidium heptahydrogentetrakis(phosphate) _cod_database_code 1007145
Averbuch-Pouchot M; Durif, A.; Acta Crystallographica, Section C 41 (1985) 1555–1556; doi:10.1107/S0108270185008538

data_9014083
_publ_section_title
;
 Structure of pentarubidium heptahydrogentetrakis(phosphate)
 _cod_database_code 1007145
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              1555
_journal_page_last               1556
_journal_paper_doi               10.1107/S0108270185008538
_journal_volume                  41
_journal_year                    1985
_chemical_formula_sum            'O16 P4 Rb5'
_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                   28.57
_cell_length_b                   10.277
_cell_length_c                   6.090
_cell_formula_units_Z            4
_cell_volume                     1788.109
_database_code_amcsd             0010012
_exptl_crystal_density_diffrn    2.999
_cod_duplicate_entry             1007145
_cod_original_formula_sum        'Rb5 P4 O16'
_cod_database_code               9014083
_amcsd_formula_title             'H7 O16 P4 Rb5'
Homogeneous liddicoatite from Madagascar: a possible reference material? First EMPA, SIMS and SREF data Sample: 2
Aurisicchio, C.; Demartin, F.; Ottolini, L.; Pezzotta, F.; European Journal of Mineralogy 11 (1999) 237–242; doi:

data_9014084
_publ_section_title
;
 Homogeneous liddicoatite from Madagascar: a possible
 reference material? First EMPA, SIMS and SREF data
 Sample: 2
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              237
_journal_page_last               242
_journal_volume                  11
_journal_year                    1999
_chemical_compound_source        Madagascar
_chemical_formula_sum
'Al7 B3 Ca0.452 F0.327 H3.39 K0.04 Li2 Na0.435 O30.672 Si6'
_chemical_name_mineral           Fluor-liddicoatite
_space_group_IT_number           160
_symmetry_space_group_name_Hall  'R 3 -2"'
_symmetry_space_group_name_H-M   'R 3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   15.882
_cell_length_b                   15.882
_cell_length_c                   7.115
_cell_volume                     1554.232
_database_code_amcsd             0006767
_exptl_crystal_density_diffrn    2.993
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_original_formula_sum
'Ca.452 Na.435 K.04 Li2 Al7 Si6 B3 F.327 O30.672 H3.39'
_cod_database_code               9014084
On the structure and chemical composition of Swedenborgite _cod_database_code 1011229
Aminoff, G.; Kunglia Svenska Vetenskaps Akademiens Handlingar 11 (1933) 1–13; doi:

data_9014085
_publ_section_title
;
 On the structure and chemical composition of Swedenborgite
 _cod_database_code 1011229
;
_journal_name_full
'Kunglia Svenska Vetenskaps Akademiens Handlingar'
_journal_page_first              1
_journal_page_last               13
_journal_volume                  11
_journal_year                    1933
_chemical_formula_sum            'Na O7 Sb'
_chemical_name_mineral           Swedenborgite
_space_group_IT_number           186
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   5.42
_cell_length_b                   5.42
_cell_length_c                   8.8
_cell_formula_units_Z            2
_cell_volume                     223.878
_database_code_amcsd             0018096
_exptl_crystal_density_diffrn    3.808
_cod_duplicate_entry             1011229
_cod_original_formula_sum        'O7 Sb Na'
_cod_database_code               9014085
Ordering of calcium and iron in a mineral of the eudialyte group with the symmetry R3
Ekimenkova, I. A.; Rastsvetaeva, R. K.; Chukanov, N. V.; Doklady Chemistry 374 (2000) 195–198; doi:

data_9014086
_publ_section_title
;
 Ordering of calcium and iron in a mineral of the eudialyte group with the symmetry R3
;
_journal_name_full               'Doklady Chemistry'
_journal_page_first              195
_journal_page_last               198
_journal_volume                  374
_journal_year                    2000
_chemical_compound_source        'Lovozero massif, Kola Peninsula, Russia'
_chemical_formula_sum
'Al0.2 Ca3.708 Ce0.3 Cl Fe2.199 H2.87 Hf0.099 K0.201 Mg0.15 Mn0.9 Na15.591 Nb0.2 O76.6 Si25.3 Sr0.201 Ti0.15 Zr3.801'
_chemical_name_mineral           Raslakite
_space_group_IT_number           146
_symmetry_space_group_name_Hall  'R 3'
_symmetry_space_group_name_H-M   'R 3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   14.229
_cell_length_b                   14.229
_cell_length_c                   30.019
_cell_volume                     5263.512
_database_code_amcsd             0012506
_exptl_crystal_density_diffrn    2.953
_cod_original_sg_symbol_H-M      'R 3'
_cod_original_formula_sum
'Zr3.801 Si25.3 O76.6 Fe2.199 Ca3.708 Mn.9 Ce.3 Hf.099 Na15.591 Nb.2 Ti.15 Mg.15 Al.2 Sr.201 K.201 Cl H2.87'
_cod_database_code               9014086
_cod_duplicate_entry 9012750
Crystal and molecular structures of rinneite, sodium tripotassium hexachloroferrate(II), and hexaamminecobalt(III) hexachloroferrate(III). Comparison of iron-chloride distances in hexachloroferrates(II) and -(III)
Beattie, J. K.; Moore, C. J.; Inorganic Chemistry 21 (1982) 1292–1295; doi:10.1021/ic00134a002

data_9014087
_publ_section_title
;
 Crystal and molecular structures of rinneite, sodium tripotassium hexachloroferrate(II),
 and hexaamminecobalt(III) hexachloroferrate(III). Comparison of iron-chloride distances
 in hexachloroferrates(II) and -(III)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1292
_journal_page_last               1295
_journal_paper_doi               10.1021/ic00134a002
_journal_volume                  21
_journal_year                    1982
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cl6 Co Fe H18 N6'
_space_group_IT_number           205
_symmetry_space_group_name_Hall  '-P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P a -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.2506
_cell_length_b                   11.2506
_cell_length_c                   11.2506
_cell_formula_units_Z            4
_cell_volume                     1424.056
_database_code_amcsd             0019750
_exptl_crystal_density_diffrn    2.004
_cod_original_sg_symbol_H-M      'P a 3'
_cod_original_formula_sum        'Fe Co Cl6 N6 H18'
_cod_database_code               9014087
_amcsd_formula_title             Co(NH3)6FeCl6
A high-pressure study of lawsonite using angle-dispersive powder-diffraction methods with synchrotron radiation Note: Run #BN82, P = 0 GPa
Pawley, A. R.; Allan, D. R.; Mineralogical Magazine 65 (2001) 41–58; doi:10.1180/002646101550118

data_9014088
_publ_section_title
;
 A high-pressure study of lawsonite using angle-dispersive
 powder-diffraction methods with synchrotron radiation
 Note: Run #BN82, P = 0 GPa
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              41
_journal_page_last               58
_journal_paper_doi               10.1180/002646101550118
_journal_volume                  65
_journal_year                    2001
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al2 Ca H4 O10 Si2'
_chemical_name_mineral           Lawsonite
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.849
_cell_length_b                   8.790
_cell_length_c                   13.132
_cell_volume                     675.152
_database_code_amcsd             0018953
_exptl_crystal_density_diffrn    3.091
_cod_original_formula_sum        'Ca Al2 Si2 O10 H4'
_cod_database_code               9014088
Structure d'un Trimetaphosphate-Tellurate de Potassium Dihydrate Te(OH)6K3P3O9(H2O)2
Boudjada, N.; Averbuch-Pouchot M; Durif, A.; Acta Crystallographica, Section B 37 (1981) 647–649; doi:10.1107/S0567740881003774

data_9014089
_publ_section_title
;
 Structure d'un Trimetaphosphate-Tellurate de Potassium Dihydrate
 Te(OH)6K3P3O9(H2O)2
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              647
_journal_page_last               649
_journal_paper_doi               10.1107/S0567740881003774
_journal_volume                  37
_journal_year                    1981
_chemical_formula_sum            'K3 O17 P3 Te'
_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                 108.01
_cell_angle_gamma                90
_cell_length_a                   15.61
_cell_length_b                   7.456
_cell_length_c                   14.84
_cell_formula_units_Z            4
_cell_volume                     1642.572
_database_code_amcsd             0009733
_exptl_crystal_density_diffrn    2.466
_cod_duplicate_entry             1007063
_cod_original_formula_sum        'Te K3 P3 O17'
_cod_database_code               9014089
_amcsd_formula_title             'H10 K3 O17 P3 Te'
Single-crystal structure refinement of enargite [Cu3AsS4] Note z-coordinate of S1 changed from .4592 to match reported bond lengths
Henao, J. A.; Diaz de Delgado, G.; Delgado, J. M.; Castrillo, F. J.; Odreman, O.; Materials Research Bulletin 29 (1994) 1121–1127; doi:10.1016/0025-5408(94)90181-3

data_9014090
_publ_section_title
;
 Single-crystal structure refinement of enargite [Cu3AsS4]
 Note z-coordinate of S1 changed from .4592 to match reported bond lengths
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              1121
_journal_page_last               1127
_journal_paper_doi               10.1016/0025-5408(94)90181-3
_journal_volume                  29
_journal_year                    1994
_chemical_compound_source        'mines of Bailadores in Merida, Venezuela'
_chemical_formula_sum            'As Cu3 S4'
_chemical_name_mineral           Enargite
_space_group_IT_number           31
_symmetry_space_group_name_Hall  'P 2ac -2'
_symmetry_space_group_name_H-M   'P m n 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.426
_cell_length_b                   6.4521
_cell_length_c                   6.1631
_cell_formula_units_Z            2
_cell_volume                     295.294
_database_code_amcsd             0014370
_exptl_crystal_density_diffrn    4.429
_cod_original_formula_sum        'Cu3 As S4'
_cod_database_code               9014090
Cossaite, (Mg0.5,_)Al6(SO4)6(HSO4)F6*36H2O, a new mineral from La Fossa crater, Vulcano, Aeolian Islands, Italy Note: H atom in HSO4 group was not located
Demartin, F.; Gramaccioli, C. M.; Campostrini, I.; Castellano, C.; Mineralogical Magazine 75 (2011) 2847–2855; doi:10.1180/minmag.2011.075.6.2847

data_9014091
_publ_section_title
;
 Cossaite, (Mg0.5,_)Al6(SO4)6(HSO4)F6*36H2O, a new mineral
 from La Fossa crater, Vulcano, Aeolian Islands, Italy
 Note: H atom in HSO4 group was not located
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              2847
_journal_page_last               2855
_journal_paper_doi               10.1180/minmag.2011.075.6.2847
_journal_volume                  75
_journal_year                    2011
_chemical_compound_source
'La Fossa crater, Vulcano, Aeolian Islands, Italy'
_chemical_formula_sum            'Al6 F6 H72 Mg0.5 O64 S7'
_chemical_name_mineral           Cossaite
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   22.010
_cell_length_b                   22.010
_cell_length_c                   9.238
_cell_volume                     3875.687
_database_code_amcsd             0018525
_exptl_crystal_density_diffrn    2.068
_cod_original_sg_symbol_H-M      'R -3'
_cod_original_formula_sum        'Mg.5 Al6 S7 O64 F6 H72'
_cod_database_code               9014091
Postite, Mg(H2O)6Al2(OH)2(H2O)8(V10O28)*13H2O, a new mineral species from the La Sal Mining District, Utah: Crystal structure and descriptive mineralogy
Kampf, A. R.; Hughes, J. M.; Marty, J.; Nash, B.; The Canadian Mineralogist 50 (2012) 45–53; doi:10.3749/canmin.50.1.45

data_9014092
_publ_section_title
;
 Postite, Mg(H2O)6Al2(OH)2(H2O)8(V10O28)*13H2O, a new mineral species from
 the La Sal Mining District, Utah: Crystal structure and descriptive mineralogy
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              45
_journal_page_last               53
_journal_paper_doi               10.3749/canmin.50.1.45
_journal_volume                  50
_journal_year                    2012
_chemical_compound_source        'La Sal Mining District, Utah, USA'
_chemical_formula_sum            'Al2 H56 Mg O57 V10'
_chemical_name_mineral           Postite
_space_group_IT_number           56
_symmetry_space_group_name_Hall  '-P 2ab 2ac'
_symmetry_space_group_name_H-M   'P c c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.3357
_cell_length_b                   24.2434
_cell_length_c                   11.7343
_cell_volume                     4647.169
_database_code_amcsd             0019040
_exptl_crystal_density_diffrn    2.224
_cod_original_formula_sum        'Mg Al2 V10 O57 H56'
_cod_database_code               9014092
Position of cations and water molecules in hydrated chabazite. Natural and Na-, Ca-, Sr- and K-exchanged chabazites Note: Na-exchanged
Alberti, A.; Galli, E.; Vezzalini, G.; Passaglia, E.; Zanazzi, P. F.; Zeolites 2 (1982) 303–309; doi:10.1016/S0144-2449(82)80075-4

data_9014093
_publ_section_title
;
 Position of cations and water molecules in hydrated chabazite.
 Natural and Na-, Ca-, Sr- and K-exchanged chabazites
 Note: Na-exchanged
;
_journal_name_full               Zeolites
_journal_page_first              303
_journal_page_last               309
_journal_paper_doi               10.1016/S0144-2449(82)80075-4
_journal_volume                  2
_journal_year                    1982
_chemical_compound_source        'Keller, Nidda, Germany'
_chemical_formula_sum            'Al3.72 H19.36 Na3.16 O33.68 Si8.28'
_chemical_name_mineral           Chabazite-Na
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-P 3* 2'
_symmetry_space_group_name_H-M   'R -3 m :R'
_cell_angle_alpha                94.06
_cell_angle_beta                 94.06
_cell_angle_gamma                94.06
_cell_length_a                   9.425
_cell_length_b                   9.425
_cell_length_c                   9.425
_cell_formula_units_Z            1
_cell_volume                     830.610
_database_code_amcsd             0017687
_exptl_crystal_density_diffrn    1.927
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'Na3.16 (Al3.72 Si8.28) O33.68 H19.36'
_cod_database_code               9014093
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L4, ordered model
Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S.; The Canadian Mineralogist 49 (2011) 63–88; doi:10.3749/canmin.49.1.63

data_9014094
_publ_section_title
;
 Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar.
 I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy
 Sample: L4, ordered model
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              63
_journal_page_last               88
_journal_paper_doi               10.3749/canmin.49.1.63
_journal_volume                  49
_journal_year                    2011
_chemical_compound_source        'Anjanabonoina, central Madagascar'
_chemical_formula_sum
'Al7.173 B3 Ca0.517 F0.589 Fe0.09 H3.411 Li1.395 Mg0.102 Mn0.234 Na0.386 O30.411 Pb0.021 Si6 Ti0.003'
_chemical_name_mineral           Fluor-liddicoatite
_space_group_IT_number           160
_symmetry_space_group_name_Hall  'R 3 -2"'
_symmetry_space_group_name_H-M   'R 3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   15.8548
_cell_length_b                   15.8548
_cell_length_c                   7.1099
_cell_formula_units_Z            3
_cell_volume                     1547.803
_database_code_amcsd             0018410
_exptl_crystal_density_diffrn    3.089
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_original_formula_sum
'Ca.517 Na.386 Pb.021 Ti.003 Al7.173 Fe.09 Mg.102 Mn.234 Li1.395 Si6 B3 F.589 O30.411 H3.411'
_cod_database_code               9014094
Ueber ein neues Mineral von Langban. _cod_database_code 1010488
Aminoff, G.; Zeitschrift fur Kristallographie 60 (1924) 262–274; doi:

data_9014095
_publ_section_title
;
 Ueber ein neues Mineral von Langban.
 _cod_database_code 1010488
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              262
_journal_page_last               274
_journal_volume                  60
_journal_year                    1924
_chemical_formula_sum            'Al2 Na Sb'
_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_length_a                   5.4
_cell_length_b                   5.4
_cell_length_c                   8.81
_cell_formula_units_Z            2
_cell_volume                     222.482
_database_code_amcsd             0017404
_exptl_crystal_density_diffrn    2.966
_cod_duplicate_entry             1010488
_cod_original_formula_sum        'Na Sb Al2'
_cod_database_code               9014095
_amcsd_formula_title             'Al2 Na O6 Sb'
Structural and conductivity properties of Bi(0.775) Ln(0.225) O1.5 oxide conductors (Ln = La, Pr, Nd, Sm, Eu, Gd, Tb, Dy) with rhombohedral Bi-Sr-O type _cod_database_code 1004137
Drache, M.; Obbade, S.; Wignacourt, J.; Conflant, P.; Journal of Solid State Chemistry 142 (1999) 349–359; doi:10.1006/jssc.1998.8043

data_9014096
_publ_section_title
;
 Structural and conductivity properties of Bi(0.775) Ln(0.225) O1.5
 oxide conductors (Ln = La, Pr, Nd, Sm, Eu, Gd, Tb, Dy) with
 rhombohedral Bi-Sr-O type
 _cod_database_code 1004137
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              349
_journal_page_last               359
_journal_paper_doi               10.1006/jssc.1998.8043
_journal_volume                  142
_journal_year                    1999
_chemical_formula_sum            'Bi2.325 Nd0.675 O4.5'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   3.9915
_cell_length_b                   3.9915
_cell_length_c                   27.463
_cell_formula_units_Z            3
_cell_volume                     378.923
_database_code_amcsd             0013961
_exptl_crystal_density_diffrn    8.614
_cod_duplicate_entry             1004137
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'Bi2.325 Nd.675 O4.5'
_cod_database_code               9014096
_amcsd_formula_title             'Bi0.775 Nd0.225 O1.5'