LMucko/crystallography-open-database huggingface dataset:
Zur Kristallstruktur von Ca2 Nb2 O7
Scheunemann, K; Mueller-Buschbaum, Hk; Journal of Inorganic and Nuclear Chemistry 36 (1974) 1965–1970; doi:10.1016/0022-1902(74)80709-8

data_2002203
_publ_section_title              'Zur Kristallstruktur von Ca2 Nb2 O7'
_journal_name_full               'Journal of Inorganic and Nuclear Chemistry'
_journal_page_first              1965
_journal_page_last               1970
_journal_paper_doi               10.1016/0022-1902(74)80709-8
_journal_volume                  36
_journal_year                    1974
_chemical_formula_structural     'Ca2 (Nb2 O7)'
_chemical_formula_sum            'Ca2 Nb2 O7'
_chemical_name_systematic        'Dicalcium diniobate'
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_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_formula_units_Z            8
_cell_length_a                   26.45699
_cell_length_b                   5.501
_cell_length_c                   7.692
_cell_volume                     1119.5
_refine_ls_R_factor_all          0.056
_cod_database_code               2002203
Die Kristallstruktur von α-CaCr~2~O~4~
Pausch, H.; Müller-Buschbaum, Hk.; Zeitschrift für Anorganische und Allgemeine Chemie 405 (1974) 113–118; doi:10.1002/zaac.19744050113

data_2002204
_publ_section_title              'Die Kristallstruktur von \a-CaCr~2~O~4~'
_journal_coden_ASTM              ZAACAB
_journal_issue                   1
_journal_name_full
;
 Zeitschrift f\"ur Anorganische und Allgemeine Chemie
;
_journal_page_first              113
_journal_page_last               118
_journal_paper_doi               10.1002/zaac.19744050113
_journal_volume                  405
_journal_year                    1974
_chemical_formula_structural     'Ca Cr2 O4'
_chemical_formula_sum            'Ca Cr2 O4'
_chemical_name_systematic        'Calcium dichromium oxide - \a'
_space_group_IT_number           59
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2 2ab -1ab'
_symmetry_space_group_name_H-M   'P m m n :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.059
_cell_length_b                   5.836
_cell_length_c                   5.114
_cell_volume                     330.1
_exptl_crystal_density_meas      4.19
_refine_ls_R_factor_all          0.091
_cod_original_sg_symbol_H-M      'P m m n S'
_cod_database_code               2002204
Ein neuer Bautyp zur Formel Me2+ Me3+ O4. Sr Cr2 O4
Pausch, H; Mueller-Buschbaum, Hk; Zeitschrift fuer Anorganische und Allgemeine Chemie 405 (1974) 1–7; doi:10.1002/zaac.19744050102

data_2002205
_publ_section_title
;
Ein neuer Bautyp zur Formel Me2+ Me3+ O4. Sr Cr2 O4
;
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_page_first              1
_journal_page_last               7
_journal_paper_doi               10.1002/zaac.19744050102
_journal_volume                  405
_journal_year                    1974
_chemical_formula_structural     'Sr Cr2 O4'
_chemical_formula_sum            'Cr2 O4 Sr'
_chemical_name_systematic        'Strontium dichromium oxide'
_space_group_IT_number           59
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2 2ab -1ab'
_symmetry_space_group_name_H-M   'P m m n :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.643
_cell_length_b                   5.881
_cell_length_c                   5.115
_cell_volume                     350.2
_exptl_crystal_density_meas      4.81
_refine_ls_R_factor_all          0.069
_cod_original_sg_symbol_H-M      'P m m n S'
_cod_database_code               2002205
Zur Kristallstruktur von Ba2 Cr O4
Mattausch, H J; Mueller-Buschbaum, Hk; Zeitschrift fuer Anorganische und Allgemeine Chemie 407 (1974) 129–134; doi:10.1002/zaac.19744070202

data_2002206
_publ_section_title              'Zur Kristallstruktur von Ba2 Cr O4'
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_page_first              129
_journal_page_last               134
_journal_paper_doi               10.1002/zaac.19744070202
_journal_volume                  407
_journal_year                    1974
_chemical_formula_structural     'Ba2 (Cr O4)'
_chemical_formula_sum            'Ba2 Cr O4'
_chemical_name_systematic        'Dibarium chromate(IV)'
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_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_formula_units_Z            4
_cell_length_a                   7.67
_cell_length_b                   5.89
_cell_length_c                   10.39
_cell_volume                     469.4
_refine_ls_R_factor_all          0.096
_cod_database_code               2002206
Zur Kenntnis von Ag6 S O4 Si O4
Keller, H L; Mueller-Buschbaum, Hk; Zeitschrift fuer Anorganische und Allgemeine Chemie 408 (1974) 205–208; doi:10.1002/zaac.19744080214

data_2002207
_publ_section_title              'Zur Kenntnis von Ag6 S O4 Si O4'
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_page_first              205
_journal_page_last               208
_journal_paper_doi               10.1002/zaac.19744080214
_journal_volume                  408
_journal_year                    1974
_chemical_formula_structural     'Ag6 (S O4) (Si O4)'
_chemical_formula_sum            'Ag6 O8 S Si'
_chemical_name_systematic        'Hexasilver sulfate(VI) silicate'
_space_group_IT_number           141
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4bd 2'
_symmetry_space_group_name_H-M   'I 41/a m d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.06
_cell_length_b                   7.06
_cell_length_c                   17.65999
_cell_volume                     880.2
_refine_ls_R_factor_all          0.03
_cod_original_sg_symbol_H-M      'I 41/a m d Z'
_cod_database_code               2002207
Zur Kenntnis von Ca2 Fe Ga O5, ein Beitrag zur Kristallchemie von (M2+)2 (Me3+)2 O5 -Verbindungen
Arpe, R; Schenck, R von; Mueller-Buschbaum, Hk; Zeitschrift fuer Anorganische und Allgemeine Chemie 410 (1974) 97–103; doi:10.1002/zaac.19744100202

data_2002208
_publ_section_title
;
Zur Kenntnis von Ca2 Fe Ga O5, ein Beitrag zur Kristallchemie von
(M2+)2 (Me3+)2 O5 -Verbindungen
;
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_page_first              97
_journal_page_last               103
_journal_paper_doi               10.1002/zaac.19744100202
_journal_volume                  410
_journal_year                    1974
_chemical_formula_structural     'Ca2 Fe Ga O5'
_chemical_formula_sum            'Ca2 Fe Ga O5'
_chemical_name_systematic        'Dicalcium iron(III) gallium oxide'
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_Hall  '-P 2n 2ac'
_symmetry_space_group_name_H-M   'P c m n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.603
_cell_length_b                   14.691
_cell_length_c                   5.386
_cell_volume                     443.3
_refine_ls_R_factor_all          0.055
_cod_database_code               2002208
Darstellung und Kristallstruktur von Ba2 Tl2 O5
Schenck, R von; Mueller-Buschbaum, Hk; Zeitschrift fuer Anorganische und Allgemeine Chemie 405 (1974) 197–201; doi:10.1002/zaac.19744050210

data_2002209
_publ_section_title
;
Darstellung und Kristallstruktur von Ba2 Tl2 O5
;
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_page_first              197
_journal_page_last               201
_journal_paper_doi               10.1002/zaac.19744050210
_journal_volume                  405
_journal_year                    1974
_chemical_formula_structural     'Ba2 Tl2 O5'
_chemical_formula_sum            'Ba2 O5 Tl2'
_chemical_name_systematic        'Dibarium dithallium(III) oxide'
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_Hall  '-P 2n 2ac'
_symmetry_space_group_name_H-M   'P c m n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.264
_cell_length_b                   17.258
_cell_length_c                   6.05
_cell_volume                     654.0
_refine_ls_R_factor_all          0.08
_cod_database_code               2002209
Einkristalluntersuchungen von β-CaCr~2~O~4~
Hörkner, W.; Müller-Buschbaum, Hk.; Zeitschrift für Naturforschung, Teil B: Anorganische Chemie, Organische Chemie 31 (1976) 1710–1711; doi:10.1515/znb-1976-1229

data_2002210
_publ_section_title
;
 Einkristalluntersuchungen von \b-CaCr~2~O~4~
;
_journal_coden_ASTM              ZNBAD2
_journal_issue                   12
_journal_name_full
;
 Zeitschrift f\"ur Naturforschung, Teil B: Anorganische Chemie, Organische Chemie
;
_journal_page_first              1710
_journal_page_last               1711
_journal_paper_doi               10.1515/znb-1976-1229
_journal_volume                  31
_journal_year                    1976
_chemical_formula_structural     'Ca Cr2 O4'
_chemical_formula_sum            'Ca Cr2 O4'
_chemical_name_systematic        'Calcium dichromium oxide - $-beta'
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.639
_cell_length_b                   9.094
_cell_length_c                   2.96
_cell_volume                     286.4
_refine_ls_R_factor_all          0.072
_cod_database_code               2002210
Ueber Erdalkalimetalloxogallate. VI. Zum Problem der Mischkristallbildung zwischen Ca Ga2 O4 und Ca Al2 O4
Mueller-Buschbaum, Hk; Schmachtel, W; Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977) 31 (1976) 1604–1606; doi:

data_2002211
_publ_section_title
;
Ueber Erdalkalimetalloxogallate. VI. Zum Problem der
Mischkristallbildung zwischen Ca Ga2 O4 und Ca Al2
O4
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie,
Organische Chemie (2,1947-32,1977)
;
_journal_page_first              1604
_journal_page_last               1606
_journal_volume                  31
_journal_year                    1976
_chemical_formula_structural     'Ca Ga Al O4'
_chemical_formula_sum            'Al Ca Ga O4'
_chemical_name_systematic        'Calcium gallium aluminium oxide'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_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                 94.77
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   10.424
_cell_length_b                   8.718
_cell_length_c                   7.986
_cell_volume                     723.2
_refine_ls_R_factor_all          0.064
_cod_database_code               2002211
Ueber Erdalkalimetalloxogallate. VI. Zum Problem der Mischkristallbildung zwischen Ca Ga2 O4 Und Ca Al2 O4
Mueller-Buschbaum, Hk; Schmachtel, W; Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977) 31 (1976) 1604–1606; doi:

data_2002212
_publ_section_title
;
Ueber Erdalkalimetalloxogallate. VI. Zum Problem der
Mischkristallbildung zwischen Ca Ga2 O4 Und Ca Al2
O4
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie,
Organische Chemie (2,1947-32,1977)
;
_journal_page_first              1604
_journal_page_last               1606
_journal_volume                  31
_journal_year                    1976
_chemical_formula_structural     'Ca Ga0.5 Al1.5 O4'
_chemical_formula_sum            'Al1.5 Ca Ga0.5 O4'
_chemical_name_systematic
;
Calcium gallium aluminium oxide (1/.5/1.5/4)
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.27
_cell_angle_gamma                90
_cell_formula_units_Z            12
_cell_length_a                   8.757
_cell_length_b                   8.113
_cell_length_c                   15.334
_cell_volume                     1089.4
_refine_ls_R_factor_all          0.091
_cod_original_formula_sum        'Al1.5 Ca Ga.5 O4'
_cod_database_code               2002212
Ueber Erdalkalimetalloxogallate. V. Die Kristallstruktur von monoklinem Ca Ga2 O4
Deiseroth, H J; Mueller-Buschbaum, Hk; Zeitschrift fuer Anorganische und Allgemeine Chemie 402 (1973) 201–205; doi:10.1002/zaac.19734020211

data_2002213
_publ_section_title
;
Ueber Erdalkalimetalloxogallate. V. Die Kristallstruktur von monoklinem
Ca Ga2 O4
;
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_page_first              201
_journal_page_last               205
_journal_paper_doi               10.1002/zaac.19734020211
_journal_volume                  402
_journal_year                    1973
_chemical_formula_structural     'Ca Ga2 O4'
_chemical_formula_sum            'Ca Ga2 O4'
_chemical_name_systematic        'Calcium digallium oxide'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_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                 94.72
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   7.992
_cell_length_b                   8.83
_cell_length_c                   10.585
_cell_volume                     744.4
_database_code_amcsd             0015779
_exptl_crystal_density_diffrn    4.346
_refine_ls_R_factor_all          0.082
_cod_database_code               2002213
_amcsd_formula_title             CaGa2O4
Zur Kenntnis von Ba Ag6 O4
Keller, H L; Mueller-Buschbaum, Hk; Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977) 28 (1973) 263–267; doi:

data_2002214
_publ_section_title              'Zur Kenntnis von Ba Ag6 O4'
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie,
Organische Chemie (2,1947-32,1977)
;
_journal_page_first              263
_journal_page_last               267
_journal_volume                  28
_journal_year                    1973
_chemical_formula_structural     'Ba Ag6 O4'
_chemical_formula_sum            'Ag6 Ba O4'
_chemical_name_systematic        'Barium hexasilver oxide'
_space_group_IT_number           52
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      52
_symmetry_space_group_name_Hall  '-P 2a 2bc'
_symmetry_space_group_name_H-M   'P n n a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.63
_cell_length_b                   12.7
_cell_length_c                   9.09
_cell_volume                     765.4
_refine_ls_R_factor_all          0.105
_cod_database_code               2002214
Zur Kenntnis von Ba Cu2 O2
Teske, C L; Mueller-Buschbaum, Hk; Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977) 27 (1972) 296–301; doi:

data_2002215
_publ_section_title              'Zur Kenntnis von Ba Cu2 O2'
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie,
Organische Chemie (2,1947-32,1977)
;
_journal_page_first              296
_journal_page_last               301
_journal_volume                  27
_journal_year                    1972
_chemical_formula_structural     'Ba Cu2 O2'
_chemical_formula_sum            'Ba Cu2 O2'
_chemical_name_systematic        'Barium dicopper(I) oxide'
_space_group_IT_number           141
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4bd 2'
_symmetry_space_group_name_H-M   'I 41/a m d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.722
_cell_length_b                   5.722
_cell_length_c                   10.064
_cell_volume                     329.5
_exptl_crystal_density_meas      5.97
_refine_ls_R_factor_all          0.11
_cod_original_sg_symbol_H-M      'I 41/a m d Z'
_cod_database_code               2002215
Zur Kristallstruktur von Ba3 (Cr O4)2
Mattausch, H; Mueller-Buschbaum, Hk; Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977) 27 (1972) 739–744; doi:

data_2002216
_publ_section_title              'Zur Kristallstruktur von Ba3 (Cr O4)2'
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie,
Organische Chemie (2,1947-32,1977)
;
_journal_page_first              739
_journal_page_last               744
_journal_volume                  27
_journal_year                    1972
_chemical_formula_structural     'Ba3 (Cr O4)2'
_chemical_formula_sum            'Ba3 Cr2 O8'
_chemical_name_systematic        'Tribarium bis(chromate(V))'
_space_group_IT_number           166
_symmetry_cell_setting           trigonal
_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                   5.757
_cell_length_b                   5.757
_cell_length_c                   21.38799
_cell_volume                     613.9
_refine_ls_R_factor_all          0.09
_cod_original_sg_symbol_H-M      'R -3 m H'
_cod_database_code               2002216
Ein Beitrag ueber Sr Ce Al O4 und Sr Nd Al O4
Pausch, H; Mueller-Buschbaum, Hk; Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977) 27 (1972) 888–890; doi:

data_2002217
_publ_section_title
;
Ein Beitrag ueber Sr Ce Al O4 und Sr Nd Al O4
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie,
Organische Chemie (2,1947-32,1977)
;
_journal_page_first              888
_journal_page_last               890
_journal_volume                  27
_journal_year                    1972
_chemical_formula_structural     'Sr Ce Al O4'
_chemical_formula_sum            'Al Ce O4 Sr'
_chemical_name_systematic        'Strontium cerium aluminium oxide'
_space_group_IT_number           139
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.755
_cell_length_b                   3.755
_cell_length_c                   12.587
_cell_volume                     177.5
_refine_ls_R_factor_all          0.1
_cod_database_code               2002217
Ein Beitrag ueber Sr Ce Al O4 und Sr Nd Al O4
Pausch, H; Mueller-Buschbaum, Hk; Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977) 27 (1972) 888–890; doi:

data_2002218
_publ_section_title
;
Ein Beitrag ueber Sr Ce Al O4 und Sr Nd Al O4
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie,
Organische Chemie (2,1947-32,1977)
;
_journal_page_first              888
_journal_page_last               890
_journal_volume                  27
_journal_year                    1972
_chemical_formula_structural     'Sr Nd Al O4'
_chemical_formula_sum            'Al Nd O4 Sr'
_chemical_name_systematic        'Strontium neodymium aluminium oxide'
_space_group_IT_number           139
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.712
_cell_length_b                   3.712
_cell_length_c                   12.418
_cell_volume                     171.1
_refine_ls_R_factor_all          0.1
_cod_database_code               2002218
Trinuclear Zinc(II) Complexes and Polymeric Cadmium(II) Complexes with the Ligand 2,5-Bis(2-pyridyl)pyrazine: Synthesis, Spectral Analysis, and Single-Crystal and Powder X-ray Analyses
Antonia Neels; Helen Stoeckli-Evans; Inorganic Chemistry 38 (1999) 6164–6170; doi:10.1021/ic990843v

data_4322575
_publ_section_title
;
 Trinuclear Zinc(II) Complexes and Polymeric Cadmium(II) Complexes with
 the Ligand 2,5-Bis(2-pyridyl)pyrazine: Synthesis, Spectral Analysis, and
 Single-Crystal and Powder X-ray Analyses
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6164
_journal_page_last               6170
_journal_paper_doi               10.1021/ic990843v
_journal_volume                  38
_journal_year                    1999
_chemical_formula_sum            'C14 H10 Cd N6 O6'
_space_group_IT_number           15
_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                90.0
_cell_angle_beta                 103.3485(18)
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   11.66018(26)
_cell_length_b                   11.98703(25)
_cell_length_c                   12.14530(29)
_cell_volume                     1651.70(7)
_computing_structure_refinement  GSAS
_pd_phase_name                   comp5
_refine_ls_goodness_of_fit_all   4.57
_refine_ls_number_parameters     75
_refine_ls_number_restraints     57
_cod_data_source_file            ic990843v_5.cif
_cod_data_source_block           CDBPPZ_phase_1
_cod_database_code               4322575