LMucko/crystallography-open-database huggingface dataset:
The crystal structure of krauskopfite
Coda, A.; dal Negro, A.; Rossi, G.; Atti della Accademia Nazionale dei Lincei 42 (1967) 859–873; doi:

data_9012764
_publ_section_title
;
 The crystal structure of krauskopfite
;
_journal_name_full               'Atti della Accademia Nazionale dei Lincei'
_journal_page_first              859
_journal_page_last               873
_journal_volume                  42
_journal_year                    1967
_chemical_compound_source
'Rush Creek locality, Fresno County, California'
_chemical_formula_sum            'Ba H6 O8 Si2'
_chemical_name_mineral           Krauskopfite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 94.53
_cell_angle_gamma                90
_cell_length_a                   7.837
_cell_length_b                   10.622
_cell_length_c                   8.460
_cell_formula_units_Z            4
_cell_volume                     702.049
_database_code_amcsd             0012050
_exptl_crystal_density_diffrn    3.099
_cod_original_formula_sum        'Ba Si2 O8 H6'
_cod_database_code               9012764
La struttura della darapskite
Sabelli, C.; Atti della Accademia Nazionale dei Lincei 42 (1967) 874–887; doi:

data_9012765
_publ_section_title
;
 La struttura della darapskite
;
_journal_name_full               'Atti della Accademia Nazionale dei Lincei'
_journal_page_first              874
_journal_page_last               887
_journal_volume                  42
_journal_year                    1967
_chemical_formula_sum            'H2 N Na3 O8 S'
_chemical_name_mineral           Darapskite
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90.
_cell_angle_beta                 102.78
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.564
_cell_length_b                   6.911
_cell_length_c                   5.194
_cell_volume                     369.808
_database_code_amcsd             0012051
_exptl_crystal_density_diffrn    2.201
_cod_original_sg_symbol_H-M      'P 21/m'
_cod_original_formula_sum        'Na3 S N O8 H2'
_cod_database_code               9012765
The crystal structure of wagnerite Locality: Hollgraben near Werfen, Austria
Coda, A.; Giuseppetti, G.; Tadini, C.; Carobbi, S. G.; Atti della Accademia Nazionale dei Lincei 43 (1967) 212–224; doi:

data_9012766
_publ_section_title
;
 The crystal structure of wagnerite
 Locality: Hollgraben near Werfen, Austria
;
_journal_name_full               'Atti della Accademia Nazionale dei Lincei'
_journal_page_first              212
_journal_page_last               224
_journal_volume                  43
_journal_year                    1967
_chemical_formula_sum            'F Mg2 O4 P'
_chemical_name_mineral           Wagnerite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 108.30
_cell_angle_gamma                90
_cell_length_a                   9.644
_cell_length_b                   12.679
_cell_length_c                   11.957
_cell_formula_units_Z            16
_cell_volume                     1388.115
_exptl_crystal_density_diffrn    3.112
_cod_duplicate_entry             9012716
_cod_original_formula_sum        'Mg2 P O4 F'
_cod_database_code               9012766
The crystal structure of macdonaldite Note: x(Si4) corrected
Cannillo, E.; Rossi, G.; Ungaretti, L.; Atti della Accademia Nazionale dei Lincei 45 (1968) 399–414; doi:

data_9012767
_publ_section_title
;
 The crystal structure of macdonaldite
 Note: x(Si4) corrected
;
_journal_name_full               'Atti della Accademia Nazionale dei Lincei'
_journal_page_first              399
_journal_page_last               414
_journal_volume                  45
_journal_year                    1968
_chemical_compound_source        'Fresno County, California, USA'
_chemical_formula_sum            'Ba Ca4 H24 O48.4 Si16'
_chemical_name_mineral           Macdonaldite
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.081
_cell_length_b                   13.109
_cell_length_c                   23.560
_cell_volume                     4348.889
_database_code_amcsd             0012053
_exptl_crystal_density_diffrn    2.361
_cod_original_formula_sum        'Ba Ca4 Si16 O48.4 H24'
_cod_database_code               9012767
The X-ray crystal and molecular structure of an organic mineral: simonellite, C19H24 Locality: synthetic
Foresti, E.; Riva di Sanseverino, L.; Atti della Accademia Nazionale dei Lincei 47 (1969) 41–54; doi:

data_9012768
_publ_section_title
;The X-ray crystal and molecular structure of an organic mineral: simonellite,
 C19H24 Locality: synthetic
;
_journal_name_full               'Atti della Accademia Nazionale dei Lincei'
_journal_page_first              41
_journal_page_last               54
_journal_volume                  47
_journal_year                    1969
_chemical_compound_source        Synthetic
_chemical_formula_sum            'C19 H24'
_chemical_name_mineral           Simonellite
_space_group_IT_number           56
_symmetry_space_group_name_Hall  '-P 2ac 2bc'
_symmetry_space_group_name_H-M   'P n a a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   9.231
_cell_length_b                   9.134
_cell_length_c                   36.01
_cell_volume                     3036.218
_database_code_amcsd             0012054
_exptl_crystal_density_diffrn    0.998
_cod_original_cell_volume        3036.217
_cod_database_code               9012768
Refinement of very-high-pressure wagnerite, Mg2(PO4)F
Amisano Canesi, A.; Chiari, G.; European Crystallographic Meeting 14 (1992) 189–189; doi:

data_9012769
_publ_section_title
;
 Refinement of very-high-pressure wagnerite, Mg2(PO4)F
;
_journal_name_full               'European Crystallographic Meeting'
_journal_page_first              189
_journal_page_last               189
_journal_volume                  14
_journal_year                    1992
_chemical_formula_sum            'F Mg2 O4 P'
_chemical_name_mineral           Wagnerite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 108.22
_cell_angle_gamma                90
_cell_length_a                   9.650
_cell_length_b                   12.731
_cell_length_c                   11.961
_cell_formula_units_Z            16
_cell_volume                     1395.784
_database_code_amcsd             0012516
_exptl_crystal_density_diffrn    3.095
_cod_original_formula_sum        'Mg2 P O4 F'
_cod_database_code               9012769
Lattice parameter and expansion coefficient of vanadium Sample: at T = 25C
James, W. J.; Straumanis, M. E.; Journal of the Electrochemical Society 107 (1960) 69–69; doi:

data_9012770
_publ_section_title
;
 Lattice parameter and expansion coefficient of vanadium
 Sample: at T = 25C
;
_journal_name_full               'Journal of the Electrochemical Society'
_journal_page_first              69
_journal_page_last               69
_journal_volume                  107
_journal_year                    1960
_chemical_compound_source        Synthetic
_chemical_formula_sum            V
_chemical_name_mineral           Vanadium
_space_group_IT_number           229
_symmetry_space_group_name_Hall  '-I 4 2 3'
_symmetry_space_group_name_H-M   'I m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.0241
_cell_length_b                   3.0241
_cell_length_c                   3.0241
_cell_formula_units_Z            2
_cell_volume                     27.656
_database_code_amcsd             0014111
_diffrn_ambient_temperature      298.15
_exptl_crystal_density_diffrn    6.117
_cod_original_sg_symbol_H-M      'I m 3 m'
_cod_database_code               9012770
An X-ray study of pyrochlore fluoantimonates of calcium, cadmium, and manganese
Aia, M. A.; Mooney, R. W.; Hoffman, C. W. W.; Journal of the Electrochemical Society 110 (1963) 1048–1054; doi:10.1149/1.2425581

data_9012771
_publ_section_title
;An X-ray study of pyrochlore fluoantimonates of calcium, cadmium, and
 manganese
;
_journal_name_full               'Journal of the Electrochemical Society'
_journal_page_first              1048
_journal_page_last               1054
_journal_paper_doi               10.1149/1.2425581
_journal_volume                  110
_journal_year                    1963
_chemical_formula_sum            'Ca1.58 F0.44 O6.37 Sb2'
_chemical_name_mineral           Romeite
_space_group_IT_number           227
_symmetry_space_group_name_Hall  'F 4d 2 3 -1d'
_symmetry_space_group_name_H-M   'F d -3 m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.300
_cell_length_b                   10.300
_cell_length_c                   10.300
_cell_formula_units_Z            8
_cell_volume                     1092.727
_database_code_amcsd             0014112
_exptl_crystal_density_diffrn    5.071
_cod_original_sg_symbol_H-M      'F d -3 m'
_cod_original_formula_sum        'Ca1.58 Sb2 O6.37 F.44'
_cod_database_code               9012771
Low hydrothermal growth of sincosite Ca(VO/PO4)2*4H2O
Franke, W. A.; Luger, P.; Weber, M.; Ivanova, T. I.; Zapiski Vserossijskogo Mineralogicheskogo Obshchestva  (1997) 85–86; doi:

data_9012772
_publ_section_title
;
 Low hydrothermal growth of sincosite Ca(VO/PO4)2*4H2O
;
_journal_name_full
'Zapiski Vserossijskogo Mineralogicheskogo Obshchestva'
_journal_page_first              85
_journal_page_last               86
_journal_volume                  126N2
_journal_year                    1997
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ca H8 O14 P2 V2'
_chemical_name_mineral           Sincosite
_space_group_IT_number           1
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_cell_angle_alpha                106.72
_cell_angle_beta                 94.10
_cell_angle_gamma                90.06
_cell_length_a                   6.354
_cell_length_b                   6.329
_cell_length_c                   6.598
_cell_formula_units_Z            1
_cell_volume                     253.402
_database_code_amcsd             0015719
_exptl_crystal_density_diffrn    2.857
_cod_original_formula_sum        'Ca V2 P2 O14 H8'
_cod_database_code               9012772
The Jahn-Teller distortion of copper coordination polyhedra in the alluaudite structural type: Crystal structure of bradaczekite, NaCu4(AsO4)3
Krivovichev, S. V.; Filatov, S. K.; Burns, P. C.; Zapiski Vserossijskogo Mineralogicheskogo Obshchestva 2001 (2001) 1–8; doi:

data_9012773
_publ_section_title
;The Jahn-Teller distortion of copper coordination polyhedra in the alluaudite
 structural type: Crystal structure of bradaczekite, NaCu4(AsO4)3
;
_journal_name_full
'Zapiski Vserossijskogo Mineralogicheskogo Obshchestva'
_journal_page_first              1
_journal_page_last               8
_journal_volume                  2001
_journal_year                    2001
_chemical_formula_sum            'As3 Cu4 Na O12'
_chemical_name_mineral           Bradaczekite
_space_group_IT_number           15
_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                 117.793
_cell_angle_gamma                90
_cell_length_a                   12.053
_cell_length_b                   12.432
_cell_length_c                   7.2529
_cell_formula_units_Z            4
_cell_volume                     961.421
_database_code_amcsd             0015718
_exptl_crystal_density_diffrn    4.794
_cod_original_formula_sum        'Na Cu4 As3 O12'
_cod_database_code               9012773
Cation frameworks in structure of natural fluocarbonates of barium and rare-earth elements: crystal structure of kukharenkoite-(La), Ba2(La,Ce)(CO3)3F
Krivovichev, S. V.; Armbruster, T.; Pekov, I. V.; Zapiski Vserossijskogo Mineralogicheskogo Obshchestva  (2003) 65–72; doi:

data_9012774
_publ_section_title
;Cation frameworks in structure of natural fluocarbonates of barium and
 rare-earth elements: crystal structure of kukharenkoite-(La),
 Ba2(La,Ce)(CO3)3F
;
_journal_name_full
'Zapiski Vserossijskogo Mineralogicheskogo Obshchestva'
_journal_page_first              65
_journal_page_last               72
_journal_volume                  132N3
_journal_year                    2003
_chemical_formula_sum            'C3 Ba2 F La O9'
_chemical_name_mineral           Kukharenkoite-(La)
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 106.628
_cell_angle_gamma                90
_cell_length_a                   13.396
_cell_length_b                   5.111
_cell_length_c                   6.672
_cell_formula_units_Z            2
_cell_volume                     437.709
_database_code_amcsd             0015720
_exptl_crystal_density_diffrn    4.648
_cod_original_formula_sum        'Ba2 La F C3 O9'
_cod_database_code               9012774
New mineral bario-olgite, Ba(Na,Sr,REE)2Na[PO4]2 and its crystal structure
Pekov, I. V.; Chukanov, N. V.; Kulikova, I. M.; Zubkova, N. V.; Krotova, O. D.; Sorokina, N. I.; Pushcharovsky, D. Y.; Zapiski Vserossijskogo Mineralogicheskogo Obshchestva 133 (2004) 41–49; doi:

data_9012775
_publ_section_title
;
 New mineral bario-olgite, Ba(Na,Sr,REE)2Na[PO4]2 and its crystal structure
;
_journal_name_full
'Zapiski Vserossijskogo Mineralogicheskogo Obshchestva'
_journal_page_first              41
_journal_page_last               49
_journal_volume                  133
_journal_year                    2004
_chemical_formula_sum
'Ba0.94 Ca0.04 Ce0.18 K0.06 Na2.12 O8 P2 Sr0.66'
_chemical_name_mineral           Bario-olgite
_space_group_IT_number           143
_symmetry_space_group_name_Hall  'P 3'
_symmetry_space_group_name_H-M   'P 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   5.541
_cell_length_b                   5.541
_cell_length_c                   7.020
_cell_volume                     186.657
_database_code_amcsd             0015713
_exptl_crystal_density_diffrn    4.046
_cod_original_formula_sum        '(Ba.94 K.06) Na2.12 Ce.18 Sr.66 Ca.04 P2 O8'
_cod_database_code               9012775
Lepkhenelmite-Zn, Ba2Zn(Ti,Nb)4[Si4O12]2(O,OH)4*7(H2O) - a new mineral of the labuntsovite group and its crystal structure Locality: Lepkhe-Nelm Mt, Lovozero, Kola Peninsula, Russia Note: y(M1) corrected
Pekov, I. V.; Chukanov, N. V.; Shilov, G. V.; Kononkova, N. N.; Zadov, A. E.; Zapiski Vserossijskogo Mineralogicheskogo Obshchestva 133 (2004) 49–59; doi:

data_9012776
_publ_section_title
;Lepkhenelmite-Zn, Ba2Zn(Ti,Nb)4[Si4O12]2(O,OH)4*7(H2O) - a new mineral of the
 labuntsovite group and its crystal structure Locality: Lepkhe-Nelm Mt,
 Lovozero, Kola Peninsula, Russia Note: y(M1) corrected
;
_journal_name_full
'Zapiski Vserossijskogo Mineralogicheskogo Obshchestva'
_journal_page_first              49
_journal_page_last               59
_journal_volume                  133
_journal_year                    2004
_chemical_compound_source
'Lepkhe-Nelm Mt, Lovozero, Kola Peninsula, Russia'
_chemical_formula_sum
;Al0.112 Ba0.92 Ca0.26 Fe0.04 H10.667 K0.54 Mg0.01 Mn0.15 Na0.24 Nb1.024
 O31.222 Si7.888 Sr0.22 Ti2.968 Zn0.58
;
_chemical_name_mineral           Lepkhenelmite-Zn
_space_group_IT_number           8
_symmetry_space_group_name_Hall  'C -2y'
_symmetry_space_group_name_H-M   'C 1 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 117.52
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   14.381
_cell_length_b                   13.889
_cell_length_c                   7.793
_cell_volume                     1380.431
_database_code_amcsd             0015714
_exptl_crystal_density_diffrn    2.895
_cod_original_formula_sum
;Ba.92 K.54 Ca.26 Na.24 Sr.22 Zn.58 Mg.01 Fe.04 Mn.15 Ti2.968 Nb1.024 (Al.112
 Si7.888) O31.222 H10.667
;
_cod_database_code               9012776
Ankinovichite - the nickel analogue of alvanite - a new mineral from Kurumsak (Kazakhstan) and Kara-Chagyr (Kyrgystan) Locality: Kara-Chagyr, Kyrgystan Note: isostructural with alvanite
Karpenko, V. Y.; Pautov, L. A.; Sokolova, E. V.; Hawthorne, F. C.; Agakhanov, A. A.; Dikaya, T. V.; Zapiski Vserossijskogo Mineralogicheskogo Obshchestva 133 (2004) 59–70; doi:

data_9012777
_publ_section_title
;Ankinovichite - the nickel analogue of alvanite - a new mineral from Kurumsak
 (Kazakhstan) and Kara-Chagyr (Kyrgystan) Locality: Kara-Chagyr, Kyrgystan
 Note: isostructural with alvanite
;
_journal_name_full
'Zapiski Vserossijskogo Mineralogicheskogo Obshchestva'
_journal_page_first              59
_journal_page_last               70
_journal_volume                  133
_journal_year                    2004
_chemical_compound_source        'Kara-Chagyr, Kyrgystan'
_chemical_formula_sum            'Al4 H16 Ni0.72 O20 V1.88 Zn0.28'
_chemical_name_mineral           Ankinovichite
_space_group_IT_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                 92.141
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   17.8098
_cell_length_b                   5.1228
_cell_length_c                   8.8665
_cell_volume                     808.380
_database_code_amcsd             0015715
_exptl_crystal_density_diffrn    2.467
_cod_original_formula_sum        '(Ni.72 Zn.28) Al4 V1.88 O20 H16'
_cod_database_code               9012777
Refinement of the mangan-neptunite structure Locality: synthetic Note: changed signs of z-coordinates of O12 and O14, Ti1(y) to .32364
Zolotarev, A. A.; Krivovichev, S. V.; Yakovenchuk, V. N.; Zapiski Vserossijskogo Mineralogicheskogo Obshchetstva 136 (2007) 118–123; doi:

data_9012778
_publ_section_title
;
 Refinement of the mangan-neptunite structure
 Locality: synthetic
 Note: changed signs of z-coordinates of O12 and O14, Ti1(y) to .32364
;
_journal_name_full
'Zapiski Vserossijskogo Mineralogicheskogo Obshchetstva'
_journal_page_first              118
_journal_page_last               123
_journal_volume                  136
_journal_year                    2007
_chemical_formula_sum            'Fe2 K Li Na2 O24 Si8 Ti2'
_chemical_name_mineral           Mangan-neptunite
_space_group_IT_number           9
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 115.474
_cell_angle_gamma                90
_cell_length_a                   16.4821
_cell_length_b                   12.5195
_cell_length_c                   10.0292
_cell_formula_units_Z            4
_cell_volume                     1868.306
_exptl_crystal_density_diffrn    3.229
_cod_original_formula_sum        'Si8 Ti2 Fe2 Na2 K Li O24'
_cod_database_code               9012778
_database_code_amcsd 0015716
Refinement of the mangan-neptunite structure Locality: synthetic Note: changed signs of z-coordinates of O12 and O14, Ti1(y) to .32364
Zolotarev, A. A.; Krivovichev, S. V.; Yakovenchuk, V. N.; Zapiski Vserossijskogo Mineralogicheskogo Obshchetstva 136 (2007) 118–123; doi:

data_9012779
_publ_section_title
;
 Refinement of the mangan-neptunite structure
 Locality: synthetic
 Note: changed signs of z-coordinates of O12 and O14, Ti1(y) to .32364
;
_journal_name_full
'Zapiski Vserossijskogo Mineralogicheskogo Obshchetstva'
_journal_page_first              118
_journal_page_last               123
_journal_volume                  136
_journal_year                    2007
_chemical_formula_sum            'Fe2 K Li Na2 O24 Si8 Ti2'
_chemical_name_mineral           Manganoneptunite
_space_group_IT_number           9
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 115.474
_cell_angle_gamma                90
_cell_length_a                   16.4821
_cell_length_b                   12.5195
_cell_length_c                   10.0292
_cell_formula_units_Z            4
_cell_volume                     1868.306
_exptl_crystal_density_diffrn    3.229
_cod_original_formula_sum        'Si8 Ti2 Fe2 Na2 K Li O24'
_cod_database_code               9012779
_cod_duplicate_entry 9012778
Potassium hexa-aquacopper(II) sulfate, CuH12K2O14S2 (neutron)
Robinson, D. J.; Kennard, C. H. L.; Crystal Structure Communications 1 (1972) 185–188; doi:

data_9012780
_publ_section_title
;
 Potassium hexa-aquacopper(II) sulfate, CuH12K2O14S2 (neutron)
;
_journal_name_full               'Crystal Structure Communications'
_journal_page_first              185
_journal_page_last               188
_journal_volume                  1
_journal_year                    1972
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cu H12 K2 O14 S2'
_chemical_name_mineral           Cyanochroite
_space_group_IT_number           14
_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                 104.4
_cell_angle_gamma                90
_cell_length_a                   9.066
_cell_length_b                   12.13
_cell_length_c                   6.149
_cell_formula_units_Z            2
_cell_volume                     654.965
_database_code_amcsd             0012326
_exptl_crystal_density_diffrn    2.241
_cod_original_formula_sum        'K2 Cu S2 O14 H12'
_cod_database_code               9012780
Cyclooctadecasulfur, S18 (beta) Locality: synthetic Note: beta phase
Debaerdemaeker, T.; Kutoglu, A.; Crystal Structure Communications 3 (1974) 611–613; doi:

data_9012781
_publ_section_title
;
 Cyclooctadecasulfur, S18 (beta)
 Locality: synthetic
 Note: beta phase
;
_journal_name_full               'Crystal Structure Communications'
_journal_page_first              611
_journal_page_last               613
_journal_volume                  3
_journal_year                    1974
_chemical_formula_sum            S18
_chemical_name_mineral           Rosickyite
_space_group_IT_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                 92.3
_cell_angle_gamma                90
_cell_length_a                   10.75
_cell_length_b                   7.25
_cell_length_c                   12.25
_cell_formula_units_Z            2
_cell_volume                     953.965
_exptl_crystal_density_diffrn    2.009
_cod_database_code               9012781
_database_code_amcsd 0012329