LMucko/crystallography-open-database huggingface dataset:
Ba~3~Mn~2~O~8~ determined from neutron powder diffraction
Weller, M. T.; Skinner, S. J.; Acta Crystallographica C 55 (1999) 154–156; doi:10.1107/S0108270198011871

data_6000340
_publ_section_title
;
 Ba~3~Mn~2~O~8~ determined from neutron powder diffraction
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica C'
_journal_page_first              154
_journal_page_last               156
_journal_paper_doi               10.1107/S0108270198011871
_journal_volume                  55
_journal_year                    1999
_chemical_formula_sum            'Ba3 Mn2 O8'
_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                   5.710728(16)
_cell_length_b                   5.710728(16)
_cell_length_c                   21.44383(10)
_cell_volume                     699.03
_cod_duplicate_entry             2008132
_cod_database_code               6000340
Determination of the superstructures for the stannides ZrIrSn, HfCoSn, and HfRhSn
Zumdick, M. F.; Pottgen, R.; Zeitschrift für Kristallographie 214 (1999) 90–97; doi:10.1524/zkri.1999.214.2.90

data_6000341
_publ_section_title
;
 Determination of the superstructures for the stannides ZrIrSn, HfCoSn,
 and HfRhSn
;
_journal_coden_ASTM              ZEKRDZ
_journal_issue                   2
_journal_name_full               'Zeitschrift f\"ur Kristallographie'
_journal_page_first              90
_journal_page_last               97
_journal_paper_doi               10.1524/zkri.1999.214.2.90
_journal_volume                  214
_journal_year                    1999
_chemical_formula_sum            'Ir Sn Zr'
_space_group_name_H-M_alt        'P -6 2 c'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_length_a                   7.3210
_cell_length_b                   7.3210
_cell_length_c                   7.3220
_cell_volume                     339.86
_cod_database_code               6000341
Determination of the superstructures for the stannides ZrIrSn, HfCoSn, and HfRhSn
Zumdick, M. F.; Pottgen, R.; Zeitschrift für Kristallographie 214 (1999) 90–97; doi:10.1524/zkri.1999.214.2.90

data_6000342
_publ_section_title
;
 Determination of the superstructures for the stannides ZrIrSn, HfCoSn,
 and HfRhSn
;
_journal_coden_ASTM              ZEKRDZ
_journal_issue                   2
_journal_name_full               'Zeitschrift f\"ur Kristallographie'
_journal_page_first              90
_journal_page_last               97
_journal_paper_doi               10.1524/zkri.1999.214.2.90
_journal_volume                  214
_journal_year                    1999
_chemical_formula_sum            'Co Hf Sn'
_space_group_name_H-M_alt        'P -6 2 c'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_length_a                   7.1310
_cell_length_b                   7.1310
_cell_length_c                   7.0540
_cell_volume                     310.65
_cod_database_code               6000342
Determination of the superstructures for the stannides ZrIrSn, HfCoSn, and HfRhSn
Zumdick, M. F.; Pottgen, R.; Zeitschrift für Kristallographie 214 (1999) 90–97; doi:10.1524/zkri.1999.214.2.90

data_6000343
_publ_section_title
;
 Determination of the superstructures for the stannides ZrIrSn, HfCoSn,
 and HfRhSn
;
_journal_coden_ASTM              ZEKRDZ
_journal_issue                   2
_journal_name_full               'Zeitschrift f\"ur Kristallographie'
_journal_page_first              90
_journal_page_last               97
_journal_paper_doi               10.1524/zkri.1999.214.2.90
_journal_volume                  214
_journal_year                    1999
_chemical_formula_sum            'Hf Rh Sn'
_space_group_name_H-M_alt        'P -6 2 c'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_length_a                   7.3200
_cell_length_b                   7.3200
_cell_length_c                   7.1480
_cell_volume                     331.69
_cod_database_code               6000343
Crystal structures of a solvated and unsolvated sulfone cyclic oligomer
Kaduk, J. A.; Cahill, P. J.; Venkateshwaran, L. N.; Journal of Applied Crystallography 32 (1999) 15–20; doi:10.1107/S0021889898006189

data_6000344
_publ_section_title
;
 Crystal structures of a solvated and unsolvated sulfone cyclic oligomer
;
_journal_name_full               'Journal of Applied Crystallography'
_journal_page_first              15
_journal_page_last               20
_journal_paper_doi               10.1107/S0021889898006189
_journal_volume                  32
_journal_year                    1999
_chemical_formula_sum            'C56 H50 O9 S3'
_space_group_name_H-M_alt        'P 1 21/c 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 91.180
_cell_angle_gamma                90.000
_cell_length_a                   9.7020
_cell_length_b                   18.6230
_cell_length_c                   13.6760
_cell_volume                     2470.46
_cod_database_code               6000344
Crystal structures of a solvated and unsolvated sulfone cyclic oligomer
Kaduk, J. A.; Cahill, P. J.; Venkateshwaran, L. N.; Journal of Applied Crystallography 32 (1999) 15–20; doi:10.1107/S0021889898006189

data_6000345
_publ_section_title
;
 Crystal structures of a solvated and unsolvated sulfone cyclic oligomer
;
_journal_name_full               'Journal of Applied Crystallography'
_journal_page_first              15
_journal_page_last               20
_journal_paper_doi               10.1107/S0021889898006189
_journal_volume                  32
_journal_year                    1999
_chemical_formula_sum            'C54 H44 O8 S2'
_space_group_name_H-M_alt        'P 1 21/c 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 92.684
_cell_angle_gamma                90.000
_cell_length_a                   9.5703
_cell_length_b                   18.7582
_cell_length_c                   13.3945
_cell_volume                     2401.96
_cod_database_code               6000345
Synthesis, structure, and dielectric properties of (Bi1/2Ag1/2)TiO3
Park, J. H.; Woodward, P. M.; Parise, J. B.; Reeder, R. J.; Lubomirsky, I.; Stafsudd, O.; Chemistry of Materials 11 (1999) 177–183; doi:10.1021/cm9806533

data_6000346
_publ_section_title
;
 Synthesis, structure, and dielectric properties of (Bi1/2Ag1/2)TiO3
;
_journal_name_full               'Chemistry of Materials'
_journal_page_first              177
_journal_page_last               183
_journal_paper_doi               10.1021/cm9806533
_journal_volume                  11
_journal_year                    1999
_chemical_formula_sum            'Ag2 Bi O6 Ti2'
_space_group_name_H-M_alt        'I b a m'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   5.4897
_cell_length_b                   5.5195
_cell_length_c                   7.1758
_cell_volume                     217.43
_cod_database_code               6000346
Synthesis, structure, and dielectric properties of (Bi1/2Ag1/2)TiO3
Park, J. H.; Woodward, P. M.; Parise, J. B.; Reeder, R. J.; Lubomirsky, I.; Stafsudd, O.; Chemistry of Materials 11 (1999) 177–183; doi:10.1021/cm9806533

data_6000347
_publ_section_title
;
 Synthesis, structure, and dielectric properties of (Bi1/2Ag1/2)TiO3
;
_journal_name_full               'Chemistry of Materials'
_journal_page_first              177
_journal_page_last               183
_journal_paper_doi               10.1021/cm9806533
_journal_volume                  11
_journal_year                    1999
_chemical_formula_sum            'Ag2 Bi O6 Ti2'
_space_group_name_H-M_alt        'I 4/m c m'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   5.5166
_cell_length_b                   5.5166
_cell_length_c                   7.8134
_cell_volume                     237.79
_diffrn_ambient_temperature      573
_cod_database_code               6000347
Synthesis, structure, and dielectric properties of (Bi1/2Ag1/2)TiO3
Park, J. H.; Woodward, P. M.; Parise, J. B.; Reeder, R. J.; Lubomirsky, I.; Stafsudd, O.; Chemistry of Materials 11 (1999) 177–183; doi:10.1021/cm9806533

data_6000348
_publ_section_title
;
 Synthesis, structure, and dielectric properties of (Bi1/2Ag1/2)TiO3
;
_journal_name_full               'Chemistry of Materials'
_journal_page_first              177
_journal_page_last               183
_journal_paper_doi               10.1021/cm9806533
_journal_volume                  11
_journal_year                    1999
_chemical_formula_sum            'Ag2 Bi O6 Ti2'
_space_group_name_H-M_alt        'P m -3 m'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   3.9061
_cell_length_b                   3.9061
_cell_length_c                   3.9061
_cell_volume                     59.60
_diffrn_ambient_temperature      673
_cod_database_code               6000348
Tungsten bronze-type solid solutions Ba6-3xSm8+2xTi18O54 (x = 0.3, 0.5, 0.67, 0.71) with superstructure
Okudera, H.; Nakamura, H.; Toraya, H.; Ohsato, H.; Journal of Solid State Chemistry 142 (1999) 336–343; doi:10.1006/jssc.1998.8042

data_6000349
_publ_section_title
;
 Tungsten bronze-type solid solutions Ba6-3xSm8+2xTi18O54 (x = 0.3, 0.5,
 0.67, 0.71) with superstructure
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              336
_journal_page_last               343
_journal_paper_doi               10.1006/jssc.1998.8042
_journal_volume                  142
_journal_year                    1999
_chemical_formula_sum            'Ba5.1 O54 Sm8.6 Ti18'
_space_group_name_H-M_alt        'P b n m'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   12.1715
_cell_length_b                   22.3772
_cell_length_c                   7.6752
_cell_volume                     2090.46
_cod_database_code               6000349
Tungsten bronze-type solid solutions Ba6-3xSm8+2xTi18O54 (x = 0.3, 0.5, 0.67, 0.71) with superstructure
Okudera, H.; Nakamura, H.; Toraya, H.; Ohsato, H.; Journal of Solid State Chemistry 142 (1999) 336–343; doi:10.1006/jssc.1998.8042

data_6000350
_publ_section_title
;
 Tungsten bronze-type solid solutions Ba6-3xSm8+2xTi18O54 (x = 0.3, 0.5,
 0.67, 0.71) with superstructure
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              336
_journal_page_last               343
_journal_paper_doi               10.1006/jssc.1998.8042
_journal_volume                  142
_journal_year                    1999
_chemical_formula_sum            'Ba4.5 O54 Sm9 Ti18'
_space_group_name_H-M_alt        'P b n m'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   12.1568
_cell_length_b                   22.3253
_cell_length_c                   7.6630
_cell_volume                     2079.77
_cod_database_code               6000350
Tungsten bronze-type solid solutions Ba6-3xSm8+2xTi18O54 (x = 0.3, 0.5, 0.67, 0.71) with superstructure
Okudera, H.; Nakamura, H.; Toraya, H.; Ohsato, H.; Journal of Solid State Chemistry 142 (1999) 336–343; doi:10.1006/jssc.1998.8042

data_6000351
_publ_section_title
;
 Tungsten bronze-type solid solutions Ba6-3xSm8+2xTi18O54 (x = 0.3, 0.5,
 0.67, 0.71) with superstructure
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              336
_journal_page_last               343
_journal_paper_doi               10.1006/jssc.1998.8042
_journal_volume                  142
_journal_year                    1999
_chemical_formula_sum            'Ba4 O54 Sm9.33 Ti18'
_space_group_name_H-M_alt        'P b n m'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   12.1472
_cell_length_b                   22.2972
_cell_length_c                   7.6534
_cell_volume                     2072.91
_cod_database_code               6000351
Tungsten bronze-type solid solutions Ba6-3xSm8+2xTi18O54 (x = 0.3, 0.5, 0.67, 0.71) with superstructure
Okudera, H.; Nakamura, H.; Toraya, H.; Ohsato, H.; Journal of Solid State Chemistry 142 (1999) 336–343; doi:10.1006/jssc.1998.8042

data_6000352
_publ_section_title
;
 Tungsten bronze-type solid solutions Ba6-3xSm8+2xTi18O54 (x = 0.3, 0.5,
 0.67, 0.71) with superstructure
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              336
_journal_page_last               343
_journal_paper_doi               10.1006/jssc.1998.8042
_journal_volume                  142
_journal_year                    1999
_chemical_formula_sum            'Ba3.87 O54 Sm9.42 Ti18'
_space_group_name_H-M_alt        'P b n m'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   12.1452
_cell_length_b                   22.3029
_cell_length_c                   7.6501
_cell_volume                     2072.20
_cod_database_code               6000352
Contributions on the investigation of inorganic nonstoichiometric compounds. XLV. New thermal decomposition products of Ln(2)CeMO(6)Cl(3) - Preparation of structure-related (La,Tb)(3,5)TaO6Cl4-x
Weitzel, H.; Behler, B.; Gruehn, R.; Zeitschrift Fur Anorganische Und Allgemeine Chemie 625 (1999) 221–232; doi:10.1002/(SICI)1521-3749(199902)625:2<221::AID-ZAAC221>3.0.CO;2-Y

data_6000353
_publ_section_title
;
 Contributions on the investigation of inorganic nonstoichiometric
 compounds. XLV. New thermal decomposition products of Ln(2)CeMO(6)Cl(3) -
 Preparation of structure-related (La,Tb)(3,5)TaO6Cl4-x
;
_journal_name_full
'Zeitschrift Fur Anorganische Und Allgemeine Chemie'
_journal_page_first              221
_journal_page_last               232
_journal_paper_doi
10.1002/(SICI)1521-3749(199902)625:2<221::AID-ZAAC221>3.0.CO;2-Y
_journal_volume                  625
_journal_year                    1999
_chemical_formula_sum            'Ce1.62 Cl3.5 La1.62 Nb O6'
_space_group_name_H-M_alt        'C 1 2/m 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 98.950
_cell_angle_gamma                90.000
_cell_length_a                   35.2880
_cell_length_b                   5.4180
_cell_length_c                   9.5220
_cell_volume                     1798.35
_cod_database_code               6000353
Contributions on the investigation of inorganic nonstoichiometric compounds. XLV. New thermal decomposition products of Ln(2)CeMO(6)Cl(3) - Preparation of structure-related (La,Tb)(3,5)TaO6Cl4-x
Weitzel, H.; Behler, B.; Gruehn, R.; Zeitschrift Fur Anorganische Und Allgemeine Chemie 625 (1999) 221–232; doi:10.1002/(SICI)1521-3749(199902)625:2<221::AID-ZAAC221>3.0.CO;2-Y

data_6000354
_publ_section_title
;
 Contributions on the investigation of inorganic nonstoichiometric
 compounds. XLV. New thermal decomposition products of Ln(2)CeMO(6)Cl(3) -
 Preparation of structure-related (La,Tb)(3,5)TaO6Cl4-x
;
_journal_name_full
'Zeitschrift Fur Anorganische Und Allgemeine Chemie'
_journal_page_first              221
_journal_page_last               232
_journal_paper_doi
10.1002/(SICI)1521-3749(199902)625:2<221::AID-ZAAC221>3.0.CO;2-Y
_journal_volume                  625
_journal_year                    1999
_chemical_formula_sum            'Ce1.75 Cl4 Nb O6 Pr1.75'
_space_group_name_H-M_alt        'C 1 2/m 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 102.440
_cell_angle_gamma                90.000
_cell_length_a                   18.5630
_cell_length_b                   5.4540
_cell_length_c                   9.5270
_cell_volume                     941.89
_cod_database_code               6000354
Hydrothermal synthesis and ab initio structural approach of two new layered oxyfluorinated titanium(IV) phosphates: Ti2(PO4)(2)F4.N2C2H10(MIL-6) and Ti2(PO4)(2)F4.N2C3H12.H2O
Serre, C.; Ferey, G.; Journal of Materials Chemistry 9 (1999) 579–584; doi:10.1039/a802710b

data_6000355
_publ_section_title
;
 Hydrothermal synthesis and ab initio structural approach of two new
 layered oxyfluorinated titanium(IV) phosphates:
 Ti2(PO4)(2)F4.N2C2H10(MIL-6) and Ti2(PO4)(2)F4.N2C3H12.H2O
;
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              579
_journal_page_last               584
_journal_paper_doi               10.1039/a802710b
_journal_volume                  9
_journal_year                    1999
_chemical_formula_sum            'C2 H10 F4 N2 O8 P2 Ti2'
_space_group_name_H-M_alt        'P 1 21/c 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 107.220
_cell_angle_gamma                90.000
_cell_length_a                   7.5080
_cell_length_b                   8.8810
_cell_length_c                   8.9610
_cell_volume                     570.72
_cod_database_code               6000355
Hydrothermal synthesis and ab initio structural approach of two new layered oxyfluorinated titanium(IV) phosphates: Ti2(PO4)(2)F4.N2C2H10(MIL-6) and Ti2(PO4)(2)F4.N2C3H12.H2O
Serre, C.; Ferey, G.; Journal of Materials Chemistry 9 (1999) 579–584; doi:10.1039/a802710b

data_6000356
_publ_section_title
;
 Hydrothermal synthesis and ab initio structural approach of two new
 layered oxyfluorinated titanium(IV) phosphates:
 Ti2(PO4)(2)F4.N2C2H10(MIL-6) and Ti2(PO4)(2)F4.N2C3H12.H2O
;
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              579
_journal_page_last               584
_journal_paper_doi               10.1039/a802710b
_journal_volume                  9
_journal_year                    1999
_chemical_formula_sum            'C3 H14 F4 N2 O9 P2 Ti2'
_space_group_name_H-M_alt        'C 1 2 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 106.200
_cell_angle_gamma                90.000
_cell_length_a                   16.8200
_cell_length_b                   6.3330
_cell_length_c                   6.3310
_cell_volume                     647.61
_cod_database_code               6000356
The defect structure of Y0.915Ni4.12B related to the superstructure of YNi4B
Belger, A.; Zahn, G.; Wehner, B.; Paufler, P.; Graw, G.; Behr, G.; Journal of Alloys and Compounds 283 (1999) 26–33; doi:10.1016/S0925-8388(98)00862-7

data_6000357
_publ_section_title
;
 The defect structure of Y0.915Ni4.12B related to the superstructure of
 YNi4B
;
_journal_name_full               'Journal of Alloys and Compounds'
_journal_page_first              26
_journal_page_last               33
_journal_paper_doi               10.1016/S0925-8388(98)00862-7
_journal_volume                  283
_journal_year                    1999
_chemical_formula_sum            'B Ni4.12 Y0.92'
_space_group_name_H-M_alt        'P 6/m m m'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_length_a                   14.9085
_cell_length_b                   14.9085
_cell_length_c                   6.9196
_cell_volume                     1331.93
_cod_database_code               6000357
Crystal and magnetic structure of the binary uranium germanide U~3~Ge~5~
Boulet, P.; Potel, M.; André, G.; Rogl, P.; Noël, H.; Journal of Alloys and Compounds 283 (1999) 41–44; doi:10.1016/S0925-8388(98)00873-1

data_6000358
_publ_section_title
;
 Crystal and magnetic structure of the binary uranium germanide U~3~Ge~5~
;
_journal_issue                   1-2
_journal_name_full               'Journal of Alloys and Compounds'
_journal_page_first              41
_journal_page_last               44
_journal_paper_doi               10.1016/S0925-8388(98)00873-1
_journal_volume                  283
_journal_year                    1999
_chemical_formula_sum            'Ge5 U3'
_space_group_name_H-M_alt        'P 6/m m m'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_length_a                   3.9540
_cell_length_b                   3.9540
_cell_length_c                   4.1250
_cell_volume                     55.85
_cod_database_code               6000358
Ab initio determination of the novel perovskite-related structure of La7Mo7O30 from powder diffraction
Goutenoire, F.; Retoux, R.; Suard, E.; Lacorre, P.; Journal of Solid State Chemistry 142 (1999) 228–235; doi:10.1006/jssc.1998.8070

data_6000359
_publ_section_title
;
 Ab initio determination of the novel perovskite-related structure of
 La7Mo7O30 from powder diffraction
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              228
_journal_page_last               235
_journal_paper_doi               10.1006/jssc.1998.8070
_journal_volume                  142
_journal_year                    1999
_chemical_formula_sum            'La7 Mo7 O30'
_space_group_name_H-M_alt        'R -3 m'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   17.0051
_cell_length_b                   17.0051
_cell_length_c                   6.8607
_cell_volume                     1983.93
_cod_database_code               6000359
Crystal structure and high pressure behaviour of the quartz-type phase of phosphorus oxynitride pon
Leger, J. M.; Haines, J.; de Oliveira, L. S.; Chateau, C.; Le, Sauze A; Marchand, R.; Hull, S.; Journal of Physics and Chemistry of Solids 60 (1999) 145–152; doi:10.1016/S0022-3697(98)00282-0

data_6000360
_publ_section_title
;
 Crystal structure and high pressure behaviour of the quartz-type phase of
 phosphorus oxynitride pon
;
_journal_name_full               'Journal of Physics and Chemistry of Solids'
_journal_page_first              145
_journal_page_last               152
_journal_paper_doi               10.1016/S0022-3697(98)00282-0
_journal_volume                  60
_journal_year                    1999
_chemical_formula_sum            'N O P'
_space_group_name_H-M_alt        'P 32 2 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_length_a                   4.7570
_cell_length_b                   4.7570
_cell_length_c                   5.2460
_cell_volume                     102.81
_cod_database_code               6000360
Insertion of lithium into Ag~4~Hf~3~S~8~ and Ag~2~HfS~3~ by n-BuLi and its structural change
Wada, H.; Amiel, O.; Takenouchi, S.; Solid State Ionics 115 (1998) 487–491; doi:10.1016/S0167-2738(98)00314-2

data_6000361
_publ_section_title
;
 Insertion of lithium into Ag~4~Hf~3~S~8~ and Ag~2~HfS~3~ by n-BuLi and its
 structural change
;
_journal_name_full               'Solid State Ionics'
_journal_page_first              487
_journal_page_last               491
_journal_paper_doi               10.1016/S0167-2738(98)00314-2
_journal_volume                  115
_journal_year                    1998
_chemical_formula_sum            'Ag2 Hf S3'
_space_group_name_H-M_alt        'C m c a'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   11.4580
_cell_length_b                   6.6280
_cell_length_c                   12.7740
_cell_volume                     970.10
_cod_database_code               6000361