LMucko/crystallography-open-database huggingface dataset:
Peptide with built-in conformational constraints: structure of Z-(Aib)~7~-O^<i>t^</i>Bu
Vlassi, M.; Brueckner, H.; Kokkinidis, M.; Acta Crystallographica Section B 49 (1993) 560–564; doi:10.1107/S0108768192007171

data_2100972
_publ_section_title
;
 Peptide with built-in conformational constraints: structure of
 Z-(Aib)~7~-O^<i>t^</i>Bu
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              560
_journal_page_last               564
_journal_paper_doi               10.1107/S0108768192007171
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'C40 H65 N7 O10.2(H2 O1)'
_chemical_formula_sum            'C40 H69 N7 O12'
_chemical_formula_weight         803.1
_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_H-M   'P -1'
_cell_angle_alpha                87.32(3)
_cell_angle_beta                 77.00(3)
_cell_angle_gamma                79.70(2)
_cell_formula_units_Z            2
_cell_length_a                   10.082(3)
_cell_length_b                   15.523(5)
_cell_length_c                   16.301(5)
_cell_volume                     2445.7(8)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.5418
_exptl_absorpt_coefficient_mu    0.61
_exptl_crystal_density_diffrn    1.09
_exptl_crystal_F_000             868
_cod_data_source_file            mu0298.cif
_cod_database_code               2100972
_cod_duplicate_entry 2100971
Structure determination of a complex pentamolybdodisulfate from synchrotron radiation Laue diffraction photographs: derivation and application of a wavelength-dependent absorption correction
Maginn, S. J.; Harding, M. M.; Campbell, J. W.; Acta Crystallographica Section B 49 (1993) 520–524; doi:10.1107/S0108768192011662

data_2100973
_publ_section_title
;
 Structure determination of a complex pentamolybdodisulfate from
 synchrotron radiation Laue diffraction photographs: derivation and
 application of a wavelength-dependent absorption correction
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              520
_journal_page_last               524
_journal_paper_doi               10.1107/S0108768192011662
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         '4(C8 H20 N1),C7 H5 N1,Mo5 O23 S2'
_chemical_formula_sum            'C39 H85 Mo5 N5 O23 S2'
_chemical_formula_weight         1530.8
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_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                 88.020(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.712(5)
_cell_length_b                   30.83(2)
_cell_length_c                   14.745(6)
_cell_volume                     5775(5)
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.6
_exptl_absorpt_coefficient_mu    4.289
_exptl_crystal_density_diffrn    1.76
_exptl_crystal_F_000             3100
_cod_data_source_file            mu0303.cif
_cod_data_source_block           mu0303a
_cod_original_cell_volume        5775.3
_cod_database_code               2100973
Comparative structural studies of [(η^5^-Me~5~C~5~)Ir^I^(2,2'-bipyridine‒4,4'-COOH)] and [(η^5^-Me~5~C~5~)Ir^III^{2,2'-bipyridine-4,4'-COO(CH~2~)~3~-pyrrole}Cl]ClO~4~
Ziessel, R.; Noblat-Chardon, S.; Deronzier, A.; Matt, D.; Toupet, L.; Balgroune, F.; Grandjean, D.; Acta Crystallographica Section B 49 (1993) 515–519; doi:10.1107/S0108768192012060

data_2100974
_publ_section_title
;Comparative structural studies of
 [(\h^5^-Me~5~C~5~)Ir^I^(2,2'-bipyridine--4,4'-COOH)] and
 [(\h^5^-Me~5~C~5~)Ir^III^{2,2'-bipyridine-4,4'-COO(CH~2~)~3~-pyrrole}Cl]ClO~4~
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              515
_journal_page_last               519
_journal_paper_doi               10.1107/S0108768192012060
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C22 H23 Ir N2 O4'
_chemical_formula_weight         571.64
_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                 100.66(3)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   17.870(5)
_cell_length_b                   12.045(4)
_cell_length_c                   18.641(3)
_cell_volume                     3943.1(19)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.70926
_exptl_absorpt_coefficient_mu    6.776
_exptl_crystal_density_diffrn    1.926
_exptl_crystal_F_000             2224
_cod_data_source_file            mu0305.cif
_cod_data_source_block           mu0305a
_cod_original_cell_volume        3943.1
_cod_database_code               2100974
Comparative structural studies of [(η^5^-Me~5~C~5~)Ir^I^(2,2'-bipyridine‒4,4'-COOH)] and [(η^5^-Me~5~C~5~)Ir^III^{2,2'-bipyridine-4,4'-COO(CH~2~)~3~-pyrrole}Cl]ClO~4~
Ziessel, R.; Noblat-Chardon, S.; Deronzier, A.; Matt, D.; Toupet, L.; Balgroune, F.; Grandjean, D.; Acta Crystallographica Section B 49 (1993) 515–519; doi:10.1107/S0108768192012060

data_2100975
_publ_section_title
;Comparative structural studies of
 [(\h^5^-Me~5~C~5~)Ir^I^(2,2'-bipyridine--4,4'-COOH)] and
 [(\h^5^-Me~5~C~5~)Ir^III^{2,2'-bipyridine-4,4'-COO(CH~2~)~3~-pyrrole}Cl]ClO~4~
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              515
_journal_page_last               519
_journal_paper_doi               10.1107/S0108768192012060
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'C36 H41 Cl Ir N4 O4,Cl O4'
_chemical_formula_sum            'C36 H41 Cl2 Ir N4 O8'
_chemical_formula_weight         920.86
_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                 96.91(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.870(3)
_cell_length_b                   14.908(8)
_cell_length_c                   25.931(5)
_cell_volume                     3788(2)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.70926
_exptl_absorpt_coefficient_mu    3.705
_exptl_crystal_density_diffrn    1.615
_exptl_crystal_F_000             1840
_cod_data_source_file            mu0305.cif
_cod_data_source_block           mu0305b
_cod_database_code               2100975
Structure of a high-pressure polymorph of Mg~3~BN~3~ determined from X-ray powder data
Hiraguchi, H.; Hashizume, H.; Sasaki, S.; Nakano, S.; Fukunaga, O.; Acta Crystallographica Section B 49 (1993) 478–483; doi:10.1107/S0108768192013533

data_2100976
_publ_section_title
;
 Structure of a high-pressure polymorph of Mg~3~BN~3~ determined from
 X-ray powder data
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              478
_journal_page_last               483
_journal_paper_doi               10.1107/S0108768192013533
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'B Mg3 N3'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2 2'
_symmetry_space_group_name_H-M   'P m m m'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            1
_cell_length_a                   3.0933(2)
_cell_length_b                   3.1336(2)
_cell_length_c                   7.7005(5)
_cell_volume                     74.642(8)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54184
_cod_data_source_file            oh0030.cif
_cod_data_source_block           oh0030a
_cod_original_cell_volume        74.6
_cod_original_formula_sum        'B1 Mg3 N3'
_cod_database_code               2100976
Crystal engineering and structural investigations of the 2-amino-5-nitropyridinium salts C~5~H~6~N~3~O~2~^+^.HSO~4~^{-^} and C~5~H~6~N~3~O~2~^+^.H~2~AsO~4~^{-^}
Pecaut, J.; Le Fur, Y.; Masse, R.; Acta Crystallographica Section B 49 (1993) 535–541; doi:10.1107/S0108768192011431

data_2100977
_publ_section_title
;
 Crystal engineering and structural investigations of the
 2-amino-5-nitropyridinium salts C~5~H~6~N~3~O~2~^+^.HSO~4~^{-^} and
 C~5~H~6~N~3~O~2~^+^.H~2~AsO~4~^{-^}
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              535
_journal_page_last               541
_journal_paper_doi               10.1107/S0108768192011431
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C5 H7 N3 O6 S'
_chemical_formula_weight         237.19
_space_group_crystal_system      orthorhombic
_space_group_IT_number           61
_space_group_name_Hall           '-P 2bc 2ac'
_space_group_name_H-M_alt        'P c a b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   29.617(9)
_cell_length_b                   13.185(3)
_cell_length_c                   9.013(2)
_cell_volume                     3519.6(15)
_diffrn_radiation_type           Ag
_diffrn_radiation_wavelength     0.5608
_exptl_absorpt_coefficient_mu    0.2084
_exptl_crystal_density_diffrn    1.791
_cod_data_source_file            pa0284.cif
_cod_data_source_block           pa0284a
_cod_original_cell_volume        3519(3)
_cod_original_formula_sum        'C5 H7 N3 O6 S1'
_cod_database_code               2100977
Crystal engineering and structural investigations of the 2-amino-5-nitropyridinium salts C~5~H~6~N~3~O~2~^+^.HSO~4~^{-^} and C~5~H~6~N~3~O~2~^+^.H~2~AsO~4~^{-^}
Pecaut, J.; Le Fur, Y.; Masse, R.; Acta Crystallographica Section B 49 (1993) 535–541; doi:10.1107/S0108768192011431

data_2100978
_publ_section_title
;
 Crystal engineering and structural investigations of the
 2-amino-5-nitropyridinium salts C~5~H~6~N~3~O~2~^+^.HSO~4~^{-^} and
 C~5~H~6~N~3~O~2~^+^.H~2~AsO~4~^{-^}
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              535
_journal_page_last               541
_journal_paper_doi               10.1107/S0108768192011431
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C5 H8 As N3 O6'
_chemical_formula_weight         281.0
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   25.777(5)
_cell_length_b                   6.333(2)
_cell_length_c                   5.814(4)
_cell_volume                     949.1(7)
_diffrn_radiation_type           Ag
_diffrn_radiation_wavelength     0.5608
_exptl_absorpt_coefficient_mu    2.014
_exptl_crystal_density_diffrn    1.966
_cod_data_source_file            pa0284.cif
_cod_data_source_block           pa0284b
_cod_original_cell_volume        949.2(8)
_cod_original_formula_sum        'C5 H8 As1 N3 O6'
_cod_database_code               2100978
Structure of the luminescent system Na^+^/UO~2~^+^ β''-alumina
Wolf, M.; Wendsjö, Å.; Thomas, J. O.; Barrie, J. D.; Acta Crystallographica Section B 49 (1993) 610–614; doi:10.1107/S0108768193000928

data_2100979
_publ_section_title
;
 Structure of the luminescent system Na^+^/UO~2~^+^ \b''-alumina
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              610
_journal_page_last               614
_journal_paper_doi               10.1107/S0108768193000928
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         '(UO2)yNa1+x-2yMgxAl11-xO17 (x=2/3,y=0.10)'
_chemical_formula_sum            'Al11 Mg Na O19 U2'
_space_group_crystal_system      trigonal
_space_group_IT_number           166
_space_group_name_Hall           '-R 3 2"'
_space_group_name_H-M_alt        'R -3 m :H'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                120.0
_cell_formula_units_Z            3
_cell_length_a                   5.6206(3)
_cell_length_b                   5.6206(3)
_cell_length_c                   33.703(5)
_cell_volume                     922.07(15)
_diffrn_radiation_type           molybdenum
_diffrn_radiation_wavelength     .71073
_exptl_crystal_density_diffrn    3.39
_cod_data_source_file            ab0295.cif
_cod_data_source_block           ab0295a
_cod_depositor_comments
;
 Correcting the space group by changing it from '-P 3* 2' to '-R 3 2"'
 after consulting the original publication.

 Antanas Vaitkus,
 2017-11-18
;
_cod_original_cell_volume        922.07(2)
_cod_original_sg_symbol_Hall     '-P 3* 2'
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'Al11 Mg1 Na1 O19 U2'
_cod_database_code               2100979
Stabilizing role of included solvent in ternary complexation: synthesis, structures and thermal analyses of three 18-crown-6/sulfonamide/acetonitrile inclusion compounds
Caira, M. R.; Mohamed, R.; Acta Crystallographica Section B 49 (1993) 760–768; doi:10.1107/S0108768193001454

data_2100980
_publ_section_title
;
 Stabilizing role of included solvent in ternary complexation:
 synthesis, structures and thermal analyses of three
 18-crown-6/sulfonamide/acetonitrile inclusion compounds
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              760
_journal_page_last               768
_journal_paper_doi               10.1107/S0108768193001454
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C42 H60 N12 O12 S2'
_chemical_formula_weight         989.13
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-I 2yc'
_space_group_name_H-M_alt        'I 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 102.25(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.304(6)
_cell_length_b                   20.321(8)
_cell_length_c                   15.939(6)
_cell_volume                     5161(3)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.7107
_exptl_absorpt_coefficient_mu    0.163
_exptl_crystal_density_diffrn    1.273
_exptl_crystal_F_000             2096
_cod_data_source_file            ab0298.cif
_cod_data_source_block           ab0298a
_cod_depositor_comments
;
 Updating space group information after consulting the original publication.

 Antanas Vaitkus,
 2018-07-18
;
_cod_original_sg_symbol_Hall     'I 2yc'
_cod_original_sg_symbol_H-M      'I 2 1 1 2'
_cod_database_code               2100980
Stabilizing role of included solvent in ternary complexation: synthesis, structures and thermal analyses of three 18-crown-6/sulfonamide/acetonitrile inclusion compounds
Caira, M. R.; Mohamed, R.; Acta Crystallographica Section B 49 (1993) 760–768; doi:10.1107/S0108768193001454

data_2100981
_publ_section_title
;
 Stabilizing role of included solvent in ternary complexation:
 synthesis, structures and thermal analyses of three
 18-crown-6/sulfonamide/acetonitrile inclusion compounds
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              760
_journal_page_last               768
_journal_paper_doi               10.1107/S0108768193001454
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C23 H36 N4 O8 S2'
_chemical_formula_weight         560.68
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_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                 111.13(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.355(4)
_cell_length_b                   40.104(4)
_cell_length_c                   9.339(2)
_cell_volume                     2918.8(17)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.7107
_exptl_absorpt_coefficient_mu    0.221
_exptl_crystal_density_diffrn    1.276
_exptl_crystal_F_000             1192
_cod_data_source_file            ab0298.cif
_cod_data_source_block           ab0298b
_cod_original_cell_volume        2919(2)
_cod_database_code               2100981
Stabilizing role of included solvent in ternary complexation: synthesis, structures and thermal analyses of three 18-crown-6/sulfonamide/acetonitrile inclusion compounds
Caira, M. R.; Mohamed, R.; Acta Crystallographica Section B 49 (1993) 760–768; doi:10.1107/S0108768193001454

data_2100982
_publ_section_title
;
 Stabilizing role of included solvent in ternary complexation:
 synthesis, structures and thermal analyses of three
 18-crown-6/sulfonamide/acetonitrile inclusion compounds
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              760
_journal_page_last               768
_journal_paper_doi               10.1107/S0108768193001454
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C38 H54 N10 O10 S2'
_chemical_formula_weight         875.03
_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                 95.380(10)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   13.558(3)
_cell_length_b                   14.570(3)
_cell_length_c                   11.4040(10)
_cell_volume                     2242.8(7)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.7107
_exptl_absorpt_coefficient_mu    0.177
_exptl_crystal_density_diffrn    1.296
_exptl_crystal_F_000             928
_cod_data_source_file            ab0298.cif
_cod_data_source_block           ab0298c
_cod_original_cell_volume        2243.0(10)
_cod_database_code               2100982
Structure of Ba~4~Nb~14~O~23~
Svensson, G.; Grins, J.; Acta Crystallographica Section B 49 (1993) 626–631; doi:10.1107/S0108768193003088

data_2100983
_publ_section_title
;
 Structure of Ba~4~Nb~14~O~23~
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              626
_journal_page_last               631
_journal_paper_doi               10.1107/S0108768193003088
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'Ba4 Nb14 O23'
_chemical_formula_weight         2218.0
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-C 2 2'
_symmetry_space_group_name_H-M   'C m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   20.790(10)
_cell_length_b                   12.453(6)
_cell_length_c                   4.1490(10)
_cell_volume                     1074.2(8)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.5418
_exptl_absorpt_coefficient_mu    118.2
_exptl_crystal_density_diffrn    6.86
_exptl_crystal_F_000             1964
_cod_data_source_file            ab0304.cif
_cod_data_source_block           ab0304a
_cod_original_cell_volume        1074.0(10)
_cod_database_code               2100983
Charge densities of two rutile structures: NiF~2~ and CoF~2~
Costa, M. M. R.; Paixão, J. A.; de Almeida, M. J. M.; Andrade, L. C. R.; Acta Crystallographica Section B 49 (1993) 591–599; doi:10.1107/S0108768193001624

data_2100984
_publ_section_title
;
 Charge densities of two rutile structures: NiF~2~ and CoF~2~
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              591
_journal_page_last               599
_journal_paper_doi               10.1107/S0108768193001624
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'F2 Ni'
_chemical_formula_weight         96.71
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4n 2n'
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            2
_cell_length_a                   4.6497(6)
_cell_length_b                   4.6497(6)
_cell_length_c                   3.0836(6)
_cell_volume                     66.67
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.7017
_exptl_absorpt_coefficient_mu    7.056
_exptl_crystal_density_diffrn    4.818
_exptl_crystal_F_000             92
_cod_data_source_file            al0547.cif
_cod_database_code               2100984
Charge densities of two rutile structures: NiF~2~ and CoF~2~
Costa, M. M. R.; Paixão, J. A.; de Almeida, M. J. M.; Andrade, L. C. R.; Acta Crystallographica Section B 49 (1993) 591–599; doi:10.1107/S0108768193001624

data_2100985
_publ_section_title
;
 Charge densities of two rutile structures: NiF~2~ and CoF~2~
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              591
_journal_page_last               599
_journal_paper_doi               10.1107/S0108768193001624
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'F2 Ni'
_chemical_formula_weight         96.71
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4n 2n'
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            2
_cell_length_a                   4.6497(6)
_cell_length_b                   4.6497(6)
_cell_length_c                   3.0836(6)
_cell_volume                     66.67
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.7017
_exptl_absorpt_coefficient_mu    7.056
_exptl_crystal_density_diffrn    4.818
_exptl_crystal_F_000             92
_cod_data_source_file            al0547.cif
_cod_database_code               2100985