LMucko/crystallography-open-database huggingface dataset:
Structure of 5-(1-methyl-2,1-benzisothiazol-3-ylideneamino)-2,4-pentadienal
Tari, L. W.; McKinnon, D. M.; Secco, A. S.; Acta Crystallographica Section C 48 (1992) 683–686; doi:10.1107/S0108270191010570

data_2000962
_publ_section_title
;
 Structure of
 5-(1-methyl-2,1-benzisothiazol-3-ylideneamino)-2,4-pentadienal
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              683
_journal_page_last               686
_journal_paper_doi               10.1107/S0108270191010570
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C13 H12 N2 O S'
_chemical_formula_weight         244.31
_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
_cell_angle_beta                 90.52(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.743(2)
_cell_length_b                   12.430(5)
_cell_length_c                   12.776(5)
_cell_volume                     1229.6(8)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.236
_exptl_crystal_density_diffrn    1.32
_exptl_crystal_F_000             512
_cod_data_source_file            br0004.cif
_cod_data_source_block           br0004a
_cod_original_cell_volume        1229.6
_cod_original_formula_sum        'C13 H12 N2 O1 S1'
_cod_database_code               2000962
Structures of three 1-[(diphenylphosphinoyl)methyl]cyclohexanols
Steel, P. J.; Battiste, M. A.; Campbell, C. R.; Acta Crystallographica Section C 48 (1992) 690–693; doi:10.1107/S0108270191010430

data_2000963
_publ_section_title
;
 Structures of three 1-[(diphenylphosphinoyl)methyl]cyclohexanols
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              690
_journal_page_last               693
_journal_paper_doi               10.1107/S0108270191010430
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C19 H21 O2 P'
_chemical_formula_weight         312.4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 103.66(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.190(6)
_cell_length_b                   19.485(12)
_cell_length_c                   9.570(6)
_cell_volume                     1665.2(19)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.7107
_exptl_absorpt_coefficient_mu    0.16
_exptl_crystal_density_diffrn    1.25
_exptl_crystal_F_000             664
_cod_data_source_file            ab0234.cif
_cod_data_source_block           ab0234a
_cod_original_cell_volume        1665
_cod_original_formula_sum        'C19 H21 O2 P1'
_cod_database_code               2000963
Structures of three 1-[(diphenylphosphinoyl)methyl]cyclohexanols
Steel, P. J.; Battiste, M. A.; Campbell, C. R.; Acta Crystallographica Section C 48 (1992) 690–693; doi:10.1107/S0108270191010430

data_2000964
_publ_section_title
;
 Structures of three 1-[(diphenylphosphinoyl)methyl]cyclohexanols
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              690
_journal_page_last               693
_journal_paper_doi               10.1107/S0108270191010430
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C19 H21 O3 P'
_chemical_formula_weight         328.4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 103.88(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.240(4)
_cell_length_b                   19.529(8)
_cell_length_c                   9.736(6)
_cell_volume                     1705.5(15)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.7107
_exptl_absorpt_coefficient_mu    0.17
_exptl_crystal_density_diffrn    1.28
_exptl_crystal_F_000             696
_cod_data_source_file            ab0234.cif
_cod_data_source_block           ab0234b
_cod_original_cell_volume        1706
_cod_original_formula_sum        'C19 H21 O3 P1'
_cod_database_code               2000964
Structures of three 1-[(diphenylphosphinoyl)methyl]cyclohexanols
Steel, P. J.; Battiste, M. A.; Campbell, C. R.; Acta Crystallographica Section C 48 (1992) 690–693; doi:10.1107/S0108270191010430

data_2000965
_publ_section_title
;
 Structures of three 1-[(diphenylphosphinoyl)methyl]cyclohexanols
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              690
_journal_page_last               693
_journal_paper_doi               10.1107/S0108270191010430
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C20 H25 O4 P'
_chemical_formula_weight         360.4
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                75.09(5)
_cell_angle_beta                 81.25(4)
_cell_angle_gamma                83.86(5)
_cell_formula_units_Z            2
_cell_length_a                   5.836(3)
_cell_length_b                   11.837(8)
_cell_length_c                   13.242(7)
_cell_volume                     871.5(9)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.7107
_exptl_absorpt_coefficient_mu    0.17
_exptl_crystal_density_diffrn    1.37
_exptl_crystal_F_000             384
_cod_data_source_file            ab0234.cif
_cod_data_source_block           ab0234c
_cod_original_cell_volume        871.5
_cod_original_formula_sum        'C20 H25 O4 P1'
_cod_database_code               2000965
Structure of disodium β-<small>D</small>-fructopyranose 1-phosphate pentahydrate
Lis, T.; Weichsel, A.; Acta Crystallographica Section C 48 (1992) 693–696; doi:10.1107/S0108270191010922

data_2000966
_publ_section_title
;
 Structure of disodium \b-<small>D</small>-fructopyranose 1-phosphate
 pentahydrate
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              693
_journal_page_last               696
_journal_paper_doi               10.1107/S0108270191010922
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C6 H11 O9 P1,2(Na1),5(H2 O1)'
_chemical_formula_sum            'C6 H21 Na2 O14 P'
_chemical_formula_weight         394.18
_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 92.53(6)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.991(9)
_cell_length_b                   6.247(7)
_cell_length_c                   13.611(15)
_cell_volume                     763.7(14)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.32
_exptl_crystal_density_diffrn    1.714(4)
_exptl_crystal_density_meas      1.72
_exptl_crystal_F_000             412
_cod_data_source_file            mu0275.cif
_cod_data_source_block           mu0275a
_cod_original_cell_volume        763.7(15)
_cod_original_formula_sum        'C6 H21 Na2 O14 P1'
_cod_database_code               2000966
Structure of 1,3,4,5-neopentanetetrayl tetrakis[3-(3,5-di-<i>tert</i>-butyl-4-hydroxyphenyl)propionate]
Millini, R.; Del Piero, G.; Bracci, M.; Acta Crystallographica Section C 48 (1992) 696–699; doi:10.1107/S0108270191010557

data_2000967
_publ_section_title
;
 Structure of 1,3,4,5-neopentanetetrayl
 tetrakis[3-(3,5-di-<i>tert</i>-butyl-4-hydroxyphenyl)propionate]
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              696
_journal_page_last               699
_journal_paper_doi               10.1107/S0108270191010557
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C73 H108 O12'
_chemical_formula_weight         1177.65
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 94.50(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   25.442(8)
_cell_length_b                   10.051(3)
_cell_length_c                   27.062(10)
_cell_volume                     6899(4)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54178
_exptl_absorpt_coefficient_mu    0.564
_exptl_crystal_density_diffrn    1.1339
_exptl_crystal_F_000             2568
_cod_data_source_file            ge0280.cif
_cod_data_source_block           ge0280a
_cod_original_cell_volume        6898.5
_cod_database_code               2000967
Bis(diethylthiophosphoryl) trisulfide
Gallacher, A. C.; Pinkerton, A. A.; Acta Crystallographica Section C 48 (1992) 701–703; doi:10.1107/S010827019101082X

data_2000968
_publ_section_title
;
 Bis(diethylthiophosphoryl) trisulfide
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              701
_journal_page_last               703
_journal_paper_doi               10.1107/S010827019101082X
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C8 H20 P2 S5'
_chemical_formula_weight         338.52
_symmetry_cell_setting           monoclinic
_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                 115.96(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.998(3)
_cell_length_b                   12.678(4)
_cell_length_c                   12.181(6)
_cell_volume                     1665.9(11)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.83
_exptl_crystal_density_diffrn    1.35
_exptl_crystal_F_000             712
_cod_data_source_file            cr0349.cif
_cod_data_source_block           cr0349a
_cod_original_cell_volume        1666(2)
_cod_database_code               2000968
Structure of <i>N</i>-acetyl-<small>L</small>-leucyl-<small>L</small>-prolinamide monohydrate
Puliti, R.; Mattia, C. A.; Lilley, T. H.; Acta Crystallographica Section C 48 (1992) 709–712; doi:10.1107/S0108270191011162

data_2000969
_publ_section_title
;
 Structure of
 <i>N</i>-acetyl-<small>L</small>-leucyl-<small>L</small>-prolinamide
 monohydrate
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              709
_journal_page_last               712
_journal_paper_doi               10.1107/S0108270191011162
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C13 H23 N3 O3,H2 O1'
_chemical_formula_sum            'C13 H25 N3 O4'
_chemical_formula_weight         287.36
_symmetry_cell_setting           orthorhombic
_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                   6.3863(8)
_cell_length_b                   14.346(2)
_cell_length_c                   17.247(2)
_cell_volume                     1580.1(3)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54178
_exptl_absorpt_coefficient_mu    0.704
_exptl_crystal_density_diffrn    1.208
_exptl_crystal_F_000             624
_cod_data_source_file            ge0277.cif
_cod_data_source_block           ge0277a
_cod_original_cell_volume        1580.1(6)
_cod_database_code               2000969
Structure of 4-bromochalcone
Li, Z.; Pa, F.; Su, G.; Acta Crystallographica Section C 48 (1992) 712–714; doi:10.1107/S0108270191011137

data_2000970
_publ_section_title
;
 Structure of 4-bromochalcone
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              712
_journal_page_last               714
_journal_paper_doi               10.1107/S0108270191011137
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C15 H11 Br O'
_chemical_formula_weight         287.16
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 101.38(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   29.027(7)
_cell_length_b                   7.26(2)
_cell_length_c                   5.917(3)
_cell_volume                     1222(3)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    3.307
_exptl_crystal_density_diffrn    1.56
_exptl_crystal_F_000             576
_cod_data_source_file            cr0360.cif
_cod_data_source_block           cr0360a
_cod_original_formula_sum        'C15 H11 Br1 O1'
_cod_database_code               2000970
Structure of 3,5-pyrazoledimethanol: an X-ray and ^13^C solid-state NMR study
Llamas-Saiz, A. L.; Foces-Foces, C.; Elguero, J.; Meutermans, W.; Acta Crystallographica Section C 48 (1992) 714–717; doi:10.1107/S0108270191011228

data_2000971
_publ_section_title
;
 Structure of 3,5-pyrazoledimethanol: an X-ray and ^13^C solid-state
 NMR study
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              714
_journal_page_last               717
_journal_paper_doi               10.1107/S0108270191011228
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C5 H8 N2 O2'
_chemical_formula_weight         128.1
_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                 102.436(3)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   12.9884(5)
_cell_length_b                   4.65170(10)
_cell_length_c                   20.7870(11)
_cell_volume                     1226.44(9)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.5418
_exptl_absorpt_coefficient_mu    0.877
_exptl_crystal_density_diffrn    1.388
_exptl_crystal_F_000             544
_cod_data_source_file            al0499.cif
_cod_data_source_block           al0499a
_cod_database_code               2000971
Structure of 4-methoxyphenyl methyl sulfone and a redetermination of the structure of methyl phenyl sulfone
Chaloner, P. A.; Harrison, R. M.; Hitchcock, P. B.; Pedersen, R. T.; Acta Crystallographica Section C 48 (1992) 717–720; doi:10.1107/S0108270191012520

data_2000972
_publ_section_title
;
 Structure of 4-methoxyphenyl methyl sulfone and a redetermination of
 the structure of methyl phenyl sulfone
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              717
_journal_page_last               720
_journal_paper_doi               10.1107/S0108270191012520
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C8 H10 O3 S'
_chemical_formula_weight         186.2
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 95.05(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.638(3)
_cell_length_b                   7.828(2)
_cell_length_c                   20.045(3)
_cell_volume                     881.2(5)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.32
_exptl_crystal_density_diffrn    1.40
_exptl_crystal_F_000             392
_cod_data_source_file            al0512.cif
_cod_data_source_block           al0512a
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-15
;
_cod_original_cell_volume        881.3
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C8 H10 O3 S1'
_cod_database_code               2000972
Structure of 4-methoxyphenyl methyl sulfone and a redetermination of the structure of methyl phenyl sulfone
Chaloner, P. A.; Harrison, R. M.; Hitchcock, P. B.; Pedersen, R. T.; Acta Crystallographica Section C 48 (1992) 717–720; doi:10.1107/S0108270191012520

data_2000973
_publ_section_title
;
 Structure of 4-methoxyphenyl methyl sulfone and a redetermination of
 the structure of methyl phenyl sulfone
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              717
_journal_page_last               720
_journal_paper_doi               10.1107/S0108270191012520
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C7 H8 O2 S'
_chemical_formula_weight         156.2
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 111.66(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.172(2)
_cell_length_b                   9.095(2)
_cell_length_c                   10.844(13)
_cell_volume                     749.1(10)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.35
_exptl_crystal_density_diffrn    1.39
_exptl_crystal_F_000             328
_cod_data_source_file            al0512.cif
_cod_data_source_block           al0512b
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-15
;
_cod_original_cell_volume        749.0
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C7 H8 O2 S1'
_cod_database_code               2000973
Structure of ursolic acid ethanol solvate
Simon, A.; Delage, C.; Saux, M.; Chulia, A. J.; Najid, A.; Rigaud, M.; Acta Crystallographica Section C 48 (1992) 726–728; doi:10.1107/S0108270191012581

data_2000974
_publ_section_title
;
 Structure of ursolic acid ethanol solvate
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              726
_journal_page_last               728
_journal_paper_doi               10.1107/S0108270191012581
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C30 H48 O3,C2 H6 O1'
_chemical_formula_sum            'C32 H54 O4'
_chemical_formula_weight         502.78
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2 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                   7.1990(10)
_cell_length_b                   12.157(2)
_cell_length_c                   33.888(2)
_cell_volume                     2965.8(7)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.5418
_exptl_absorpt_coefficient_mu    0.53
_exptl_crystal_density_diffrn    1.13
_exptl_crystal_F_000             1112
_cod_data_source_file            pa0243.cif
_cod_data_source_block           pa0243_structure_1_of_1
_cod_original_cell_volume        2966
_cod_database_code               2000974
Structure of potassium strontium cuprate, K~0.95~Sr~0.05~CuO~2~
Abrahams, I.; Pienkowski, M. C.; Bruce, P. G.; Edwards, P. P.; Acta Crystallographica Section C 48 (1992) 731–733; doi:10.1107/S0108270191011629

data_2000975
_publ_section_title
;
 Structure of potassium strontium cuprate, K~0.95~Sr~0.05~CuO~2~
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              731
_journal_page_last               733
_journal_paper_doi               10.1107/S0108270191011629
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'Cu K0.95 O2 Sr0.05'
_chemical_formula_weight         137.07
_symmetry_cell_setting           orthorhombic
_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                   4.37250(10)
_cell_length_b                   11.6790(3)
_cell_length_c                   5.41100(10)
_cell_volume                     276.320(11)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54056
_exptl_absorpt_coefficient_mu    23.185
_exptl_crystal_density_diffrn    3.296
_exptl_crystal_F_000             259.8
_cod_data_source_file            ha0076.cif
_cod_data_source_block           ha0076a
_cod_original_cell_volume        276.32
_cod_original_formula_sum        'Cu1 K0.95 O2 Sr0.05'
_cod_database_code               2000975
Structure of orthorhombic NbPO~5~
Serra, D. L.; Hwu, S.-J.; Acta Crystallographica Section C 48 (1992) 733–735; doi:10.1107/S0108270191011265

data_2000976
_publ_section_title
;
 Structure of orthorhombic NbPO~5~
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              733
_journal_page_last               735
_journal_paper_doi               10.1107/S0108270191011265
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'Nb O5 P'
_chemical_formula_weight         203.88
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_symmetry_cell_setting           orthorhombic
_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                   11.304(2)
_cell_length_b                   5.316(2)
_cell_length_c                   6.640(2)
_cell_volume                     399.0(2)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    3.18
_exptl_crystal_density_diffrn    3.39
_exptl_crystal_F_000             384
_cod_data_source_file            st0536.cif
_cod_data_source_block           st0536a
_cod_original_cell_volume        399.0(3)
_cod_original_formula_sum        'Nb1 O5 P1'
_cod_database_code               2000976