LMucko/crystallography-open-database huggingface dataset:
Single crystal study of the `BaSr' 1212 superconductor Tl~1+<i>x~</i>BaSrCa~1{-~<i>x</i>}Cu~2~O~7{-~δ}
Labbé, P.; Ledésert, M.; Maignan, A.; Martin, C.; Leligny, H.; Raveau, B.; Acta Crystallographica Section B 51 (1995) 18–22; doi:10.1107/S0108768194004829

data_2101252
_publ_section_title
;
 Single crystal study of the `BaSr' 1212 superconductor
 Tl~1+<i>x~</i>BaSrCa~1{-~<i>x</i>}Cu~2~O~7{-~\d}
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              18
_journal_page_last               22
_journal_paper_doi               10.1107/S0108768194004829
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'Ba1.04 Ca0.78 Cu2 O7 Sr0.96 Tl1.22'
_chemical_formula_weight         746.6
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4 2'
_symmetry_space_group_name_H-M   'P 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.8271(7)
_cell_length_b                   3.8271(7)
_cell_length_c                   12.395(3)
_cell_volume                     181.55(6)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    46.7
_exptl_crystal_density_diffrn    6.8
_cod_data_source_file            du0384.cif
_cod_data_source_block           du0384a
_cod_original_cell_volume        181.6
_cod_database_code               2101252
Single crystal study of the `BaSr' 1212 superconductor Tl~1+<i>x~</i>BaSrCa~1-<i>x~</i>Cu~2~O~7-δ~
Labbé, P.; Ledésert, M.; Maignan, A.; Martin, C.; Leligny, H.; Raveau, B.; Acta Crystallographica Section B 51 (1995) 18–22; doi:10.1107/S0108768194004829

data_2101253
_publ_section_title
;
 Single crystal study of the `BaSr' 1212 superconductor
 Tl~1+<i>x~</i>BaSrCa~1-<i>x~</i>Cu~2~O~7-\d~
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              18
_journal_page_last               22
_journal_paper_doi               10.1107/S0108768194004829
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'Ba1.04 Ca0.78 Cu2 O7 Sr0.96 Tl1.22'
_chemical_formula_weight         746.6
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4 2'
_symmetry_space_group_name_H-M   'P 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.8356(7)
_cell_length_b                   3.8356(7)
_cell_length_c                   12.390(3)
_cell_volume                     182.2
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    46.7
_exptl_crystal_density_diffrn    6.8
_cod_data_source_file            du0384.cif
_cod_database_code               2101253
Single crystal study of the `BaSr' 1212 superconductor Tl~1+<i>x~</i>BaSrCa~1-<i>x~</i>Cu~2~O~7-δ~
Labbé, P.; Ledésert, M.; Maignan, A.; Martin, C.; Leligny, H.; Raveau, B.; Acta Crystallographica Section B 51 (1995) 18–22; doi:10.1107/S0108768194004829

data_2101254
_publ_section_title
;
 Single crystal study of the `BaSr' 1212 superconductor
 Tl~1+<i>x~</i>BaSrCa~1-<i>x~</i>Cu~2~O~7-\d~
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              18
_journal_page_last               22
_journal_paper_doi               10.1107/S0108768194004829
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'Ba1.04 Ca0.78 Cu2 O7 Sr0.96 Tl1.22'
_chemical_formula_weight         746.6
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4 2'
_symmetry_space_group_name_H-M   'P 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.8234(9)
_cell_length_b                   3.8234(9)
_cell_length_c                   12.384(4)
_cell_volume                     181.0
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    46.7
_exptl_crystal_density_diffrn    6.8
_cod_data_source_file            du0384.cif
_cod_database_code               2101254
The inclusion compound of deoxycholic acid with (‒)-camphor: a structural and energetic study
Candeloro De Sanctis, S.; Coiro, V. M.; Mazza, F.; Pochetti, G.; Acta Crystallographica Section B 51 (1995) 81–89; doi:10.1107/S0108768194008359

data_2101256
_publ_section_title
;
 The inclusion compound of deoxycholic acid with (--)-camphor: a
 structural and energetic study
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              81
_journal_page_last               89
_journal_paper_doi               10.1107/S0108768194008359
_journal_volume                  51
_journal_year                    1995
_chemical_formula_moiety         'C24 H40 O4,0.5C10 H16 O'
_chemical_formula_sum            'C29 H48 O4.5'
_chemical_formula_weight         468.6
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2 2ab'
_symmetry_space_group_name_H-M   'P 21 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   27.266(4)
_cell_length_b                   13.865(2)
_cell_length_c                   7.2370(10)
_cell_volume                     2735.9(7)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.5405
_exptl_absorpt_coefficient_mu    0.514
_exptl_crystal_density_diffrn    1.138
_exptl_crystal_F_000             1032
_cod_data_source_file            na0055.cif
_cod_data_source_block           na0055a
_cod_database_code               2101256
Caractérisation structurale et évolution thermique de l'acide amino-11-undécanoïque (C~11~H~23~NO~2~.1,5H~2~O)
Aigouy, T.; Costeseque, P.; Sempere, R.; Senac, T.; Jaud, J.; Anglerot, D.; Acta Crystallographica Section B 51 (1995) 55–61; doi:10.1107/S010876819400159X

data_2101257
_publ_section_title
;
 Caract\'erisation structurale et \'evolution thermique de l'acide
 amino-11-und\'ecano\"ique (C~11~H~23~NO~2~.1,5H~2~O)
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              55
_journal_page_last               61
_journal_paper_doi               10.1107/S010876819400159X
_journal_volume                  51
_journal_year                    1995
_chemical_formula_moiety         'C11 H23 N1 O2,1.5(H2 O1)'
_chemical_formula_sum            'C11 H26 N O3.5'
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 98.20(10)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   15.940(4)
_cell_length_b                   4.714(2)
_cell_length_c                   35.436(5)
_cell_volume                     2635.5(15)
_diffrn_radiation_type           powder
_diffrn_radiation_wavelength     1.9373
_cod_data_source_file            pa0295.cif
_cod_data_source_block           pa0295a
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-14
;
_cod_original_cell_volume        2635.5
_cod_original_sg_symbol_H-M      C2/c
_cod_original_formula_sum        'C11 H26 N1 O3.5'
_cod_database_code               2101257
Structure and thermal motion of tetrakis(trichlorophosphazeno)phosphonium dichloroiodate(I), [P(NPCl~3~)~4~]^+^[ICl~2~]^{‒^}.2[(CCl~4~)~<i>x~</i>(CHCl~3~)~1{-~<i>x</i>}], <i>x</i> = 0.67 (2)
Belaj, F.; Acta Crystallographica Section B 51 (1995) 65–71; doi:10.1107/S0108768194007019

data_2101258
_publ_section_title
;Structure and thermal motion of tetrakis(trichlorophosphazeno)phosphonium
 dichloroiodate(I),
 [P(NPCl~3~)~4~]^+^[ICl~2~]^{--^}.2[(CCl~4~)~<i>x~</i>(CHCl~3~)~1{-~<i>x</i>}],
 <i>x</i> = 0.67 (2)
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              65
_journal_page_last               71
_journal_paper_doi               10.1107/S0108768194007019
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'C2 H0.67 Cl21.34 I N4 P5'
_chemical_formula_weight         1141.79
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4bd 2c'
_symmetry_space_group_name_H-M   'I 41/a c d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   16.114(4)
_cell_length_b                   16.114(4)
_cell_length_c                   27.777(7)
_cell_volume                     7213(3)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    2.76
_exptl_crystal_density_diffrn    2.103
_exptl_crystal_F_000             4336
_cod_data_source_file            se0139.cif
_cod_data_source_block           se0139a
_cod_original_cell_volume        7213.0(10)
_cod_original_formula_sum        'C2 H0.67 Cl21.34 I1 N4 P5'
_cod_database_code               2101258
The structures of α- and β-Bi~2~Ti~4~O~11~
Kahlenberg, V.; Böhm, H.; Acta Crystallographica Section B 51 (1995) 11–18; doi:10.1107/S0108768194004386

data_2101259
_publ_section_title
;
 The structures of \a- and \b-Bi~2~Ti~4~O~11~
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              11
_journal_page_last               18
_journal_paper_doi               10.1107/S0108768194004386
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'Bi2 O11 Ti4'
_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                 93.129(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.5999(6)
_cell_length_b                   3.8063(2)
_cell_length_c                   14.9418(8)
_cell_volume                     829.10(7)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    44.31
_exptl_crystal_density_diffrn    6.29
_cod_data_source_file            se0149.cif
_cod_data_source_block           se0149a
_cod_database_code               2101259
The structures of α- and β-Bi~2~Ti~4~O~11~
Kahlenberg, V.; Böhm, H.; Acta Crystallographica Section B 51 (1995) 11–18; doi:10.1107/S0108768194004386

data_2101260
_publ_section_title
;
 The structures of \a- and \b-Bi~2~Ti~4~O~11~
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              11
_journal_page_last               18
_journal_paper_doi               10.1107/S0108768194004386
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'Bi2 O11 Ti4'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 136.135(5)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   14.6412(12)
_cell_length_b                   3.8032(3)
_cell_length_c                   10.7824(6)
_cell_volume                     416.05(6)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_cod_data_source_file            se0149.cif
_cod_data_source_block           se0149b
_cod_original_cell_volume        416.1(2)
_cod_database_code               2101260
Attempted prediction of the crystal structures of six monosaccharides
van Eijck, B. P.; Mooij, W. T. M.; Kroon, J.; Acta Crystallographica Section B 51 (1995) 99–103; doi:10.1107/S0108768194009651

data_2101261
_publ_section_title
;
 Attempted prediction of the crystal structures of six monosaccharides
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              99
_journal_page_last               103
_journal_paper_doi               10.1107/S0108768194009651
_journal_volume                  51
_journal_year                    1995
_chemical_formula_moiety         'C6 H12 O6'
_chemical_formula_sum            'C6 H12 O6'
_chemical_formula_weight         180.09
_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            8
_cell_length_a                   7.49
_cell_length_b                   7.78
_cell_length_c                   11.66
_cell_volume                     679.454
_cod_data_source_file            sh0057.cif
_cod_data_source_block           sh0057a
_cod_original_cell_volume        679.45
_cod_database_code               2101261
Attempted prediction of the crystal structures of six monosaccharides
van Eijck, B. P.; Mooij, W. T. M.; Kroon, J.; Acta Crystallographica Section B 51 (1995) 99–103; doi:10.1107/S0108768194009651

data_2101262
_publ_section_title
;
 Attempted prediction of the crystal structures of six monosaccharides
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              99
_journal_page_last               103
_journal_paper_doi               10.1107/S0108768194009651
_journal_volume                  51
_journal_year                    1995
_chemical_formula_moiety         'C6 H12 O6'
_chemical_formula_sum            'C6 H12 O6'
_chemical_formula_weight         180.09
_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            8
_cell_length_a                   6.05
_cell_length_b                   9.35
_cell_length_c                   11.87
_cell_volume                     671.456
_diffrn_radiation_type           'Mo Ka'
_diffrn_radiation_wavelength     0.71073
_exptl_crystal_F_000             286
_cod_data_source_file            sh0057.cif
_cod_data_source_block           sh0057b
_cod_original_cell_volume        671.46
_cod_database_code               2101262
Resonance-assisted hydrogen bonds between oxime and carboxyl group. Comparison of tetrameric structures of 4-methyl-2-oxopentanoic acid oxime and levulinic acid oxime
Maurin, J. K.; Leś, A.; Winnicka-Maurin, M.; Acta Crystallographica Section B 51 (1995) 232–240; doi:10.1107/S0108768194011201

data_2101264
_publ_section_title
;
 Resonance-assisted hydrogen bonds between oxime and carboxyl group.
 Comparison of tetrameric structures of 4-methyl-2-oxopentanoic acid
 oxime and levulinic acid oxime
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              232
_journal_page_last               240
_journal_paper_doi               10.1107/S0108768194011201
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'C6 H11 N O3'
_chemical_formula_weight         145.16
_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                96.47(3)
_cell_angle_beta                 97.97(3)
_cell_angle_gamma                86.31(2)
_cell_formula_units_Z            4
_cell_length_a                   10.822(3)
_cell_length_b                   13.743(2)
_cell_length_c                   5.408(2)
_cell_volume                     790.5(4)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.098
_exptl_crystal_density_diffrn    1.220
_exptl_crystal_F_000             312
_cod_data_source_file            ab0328.cif
_cod_data_source_block           ab0328a
_cod_original_cell_volume        790.0(4)
_cod_database_code               2101264
Resonance-assisted hydrogen bonds between oxime and carboxyl group. Comparison of tetrameric structures of 4-methyl-2-oxopentanoic acid oxime and levulinic acid oxime
Maurin, J. K.; Leś, A.; Winnicka-Maurin, M.; Acta Crystallographica Section B 51 (1995) 232–240; doi:10.1107/S0108768194011201

data_2101265
_publ_section_title
;
 Resonance-assisted hydrogen bonds between oxime and carboxyl group.
 Comparison of tetrameric structures of 4-methyl-2-oxopentanoic acid
 oxime and levulinic acid oxime
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              232
_journal_page_last               240
_journal_paper_doi               10.1107/S0108768194011201
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'C5 H9 N O3'
_chemical_formula_weight         131.13
_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                 92.390(10)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   8.568(2)
_cell_length_b                   5.9160(10)
_cell_length_c                   26.403(15)
_cell_volume                     1337.2(9)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.108
_exptl_crystal_density_diffrn    1.303
_exptl_crystal_F_000             560
_cod_data_source_file            ab0328.cif
_cod_data_source_block           ab0328b
_cod_database_code               2101265
The fourfold disordered structures of <i>p</i>-chloro-<i>N</i>-(<i>p</i>-methylbenzylidene)aniline and <i>p</i>-methyl-<i>N</i>-(<i>p</i>-chlorobenzylidene)aniline
Haller, K. J.; Rae, A. D.; Heerdegen, A. P.; Hockless, D. C. R.; Welberry, T. R.; Acta Crystallographica Section B 51 (1995) 187–197; doi:10.1107/S0108768194010748

data_2101276
_publ_section_title
;
 The fourfold disordered structures of
 <i>p</i>-chloro-<i>N</i>-(<i>p</i>-methylbenzylidene)aniline and
 <i>p</i>-methyl-<i>N</i>-(<i>p</i>-chlorobenzylidene)aniline
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              187
_journal_page_last               197
_journal_paper_doi               10.1107/S0108768194010748
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'C14 H12 Cl N'
_chemical_formula_weight         229.6
_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                 99.220(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.965(2)
_cell_length_b                   7.423(3)
_cell_length_c                   27.420(3)
_cell_volume                     1198.4(6)
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.5418
_exptl_absorpt_coefficient_mu    2.45
_exptl_crystal_density_diffrn    1.28
_cod_data_source_file            bk0015.cif
_cod_data_source_block           MeCl
_cod_original_cell_volume        1198.0(10)
_cod_original_formula_sum        'C14 H12 Cl1 N1'
_cod_database_code               2101276
The fourfold disordered structures of <i>p</i>-chloro-<i>N</i>-(<i>p</i>-methylbenzylidene)aniline and <i>p</i>-methyl-<i>N</i>-(<i>p</i>-chlorobenzylidene)aniline
Haller, K. J.; Rae, A. D.; Heerdegen, A. P.; Hockless, D. C. R.; Welberry, T. R.; Acta Crystallographica Section B 51 (1995) 187–197; doi:10.1107/S0108768194010748

data_2101277
_publ_section_title
;
 The fourfold disordered structures of
 <i>p</i>-chloro-<i>N</i>-(<i>p</i>-methylbenzylidene)aniline and
 <i>p</i>-methyl-<i>N</i>-(<i>p</i>-chlorobenzylidene)aniline
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              187
_journal_page_last               197
_journal_paper_doi               10.1107/S0108768194010748
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'C14 H12 Cl N'
_chemical_formula_weight         229.6
_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                 99.130(10)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.971(2)
_cell_length_b                   7.411(3)
_cell_length_c                   13.731(2)
_cell_volume                     599.9(3)
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.5418
_exptl_absorpt_coefficient_mu    2.43
_exptl_crystal_density_diffrn    1.27
_cod_data_source_file            bk0015.cif
_cod_data_source_block           ClMe
_cod_original_cell_volume        600.0(10)
_cod_original_formula_sum        'C14 H12 Cl1 N1'
_cod_database_code               2101277
The crystal and molecular structure of dodecahydridosilasesquioxane, H~12~Si~12~O~18~
Törnroos, K. W.; Bürgi, H.-B.; Calzaferri, G.; Bürgy, H.; Acta Crystallographica Section B 51 (1995) 155–161; doi:10.1107/S0108768194013558

data_2101278
_publ_section_title
;
 The crystal and molecular structure of dodecahydridosilasesquioxane,
 H~12~Si~12~O~18~
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              155
_journal_page_last               161
_journal_paper_doi               10.1107/S0108768194013558
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'H12 O18 Si12'
_chemical_formula_weight         637.11
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   14.605(2)
_cell_length_b                   20.738(3)
_cell_length_c                   15.420(2)
_cell_volume                     4670.4(11)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.74
_exptl_crystal_density_diffrn    1.81
_exptl_crystal_F_000             2592
_cod_data_source_file            cr0477.cif
_cod_data_source_block           cr0477a
_cod_original_cell_volume        4670.0(10)
_cod_database_code               2101278