LMucko/crystallography-open-database huggingface dataset:
Crystal structure of solid hydrogen chloride and deuterium chloride Note T = 118.5 K
Sandor, E.; Farrow, R. F. C.; Nature 213 (1967) 171–172; doi:10.1038/213171a0

data_9015375
_publ_section_title
;
 Crystal structure of solid hydrogen chloride and deuterium chloride
 Note T = 118.5 K
;
_journal_name_full               Nature
_journal_page_first              171
_journal_page_last               172
_journal_paper_doi               10.1038/213171a0
_journal_volume                  213
_journal_year                    1967
_chemical_compound_source
'synthetic, note this is the deuterated structure'
_chemical_formula_sum            'Cl H'
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.475
_cell_length_b                   5.475
_cell_length_c                   5.475
_cell_formula_units_Z            4
_cell_volume                     164.117
_database_code_amcsd             0018514
_exptl_crystal_density_diffrn    1.476
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_original_formula_sum        'H Cl'
_cod_database_code               9015375
_amcsd_formula_title             HCl
Synthesis and crystal structures of the layered I-III-V Zintl phases, K4In4X6, where X=As, Sb _cod_database_code 1008526
Birdwishtell, T.; Klein, C.; Jeffries, T.; Stevens, E.; O'Connor C; Journal of Materials Chemistry 1 (1991) 555–558; doi:10.1039/jm9910100555

data_9015376
_publ_section_title
;
 Synthesis and crystal structures of the layered I-III-V Zintl phases,
 K4In4X6, where X=As, Sb
 _cod_database_code 1008526
;
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              555
_journal_page_last               558
_journal_paper_doi               10.1039/jm9910100555
_journal_volume                  1
_journal_year                    1991
_chemical_formula_sum            'In2 K2 Sb3'
_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                 90.54
_cell_angle_gamma                90
_cell_length_a                   15.288
_cell_length_b                   7.544
_cell_length_c                   16.790
_cell_formula_units_Z            8
_cell_volume                     1936.350
_database_code_amcsd             0016419
_exptl_crystal_density_diffrn    4.618
_cod_duplicate_entry             1008526
_cod_original_formula_sum        'In2 Sb3 K2'
_cod_database_code               9015376
_amcsd_formula_title             'In4 K4 Sb6'
Titanates de cuivre substitues a structure bixbyite: Les composes Cu1-x Ti1-x Fe2x O3 (0.15<x<0.33) _cod_database_code 1001551
Mouron, P.; Odier, P.; Choisnet, J.; Journal of Solid State Chemistry 60 (1985) 87–94; doi:10.1016/0022-4596(85)90167-7

data_9015377
_publ_section_title
;
 Titanates de cuivre substitues a structure bixbyite: Les composes
 Cu1-x Ti1-x Fe2x O3 (0.15<x<0.33)
 _cod_database_code 1001551
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              87
_journal_page_last               94
_journal_paper_doi               10.1016/0022-4596(85)90167-7
_journal_volume                  60
_journal_year                    1985
_chemical_formula_sum            'Cu0.667 Fe0.667 O3 Ti0.667'
_space_group_IT_number           206
_symmetry_space_group_name_Hall  '-I 2b 2c 3'
_symmetry_space_group_name_H-M   'I a -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.4312
_cell_length_b                   9.4312
_cell_length_c                   9.4312
_cell_formula_units_Z            16
_cell_volume                     838.882
_database_code_amcsd             0013563
_exptl_crystal_density_diffrn    5.052
_cod_duplicate_entry             1001551
_cod_original_sg_symbol_H-M      'I a 3'
_cod_original_formula_sum        'Cu.667 Ti.667 Fe.667 O3'
_cod_database_code               9015377
_amcsd_formula_title             'Cu0.6667 Fe0.6667 O3 Ti0.6667'
The crystal structure of silver diammino-tetranitro-cobaltiate (Ag(Co(NH~3~)~2~(NO~2~)~4~))
Wells, A. F.; Zeitschrift fur Kristallographie 95 (1936) 74–82; doi:10.1524/zkri.1936.95.1.74

data_9015378
_publ_section_title
;
 The crystal structure of silver diammino-tetranitro-cobaltiate
 (Ag(Co(NH~3~)~2~(NO~2~)~4~))
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              74
_journal_page_last               82
_journal_paper_doi               10.1524/zkri.1936.95.1.74
_journal_volume                  95
_journal_year                    1936
_chemical_formula_sum            'Ag Co N6 O8'
_space_group_IT_number           126
_symmetry_space_group_name_Hall  'P 4 2 -1n'
_symmetry_space_group_name_H-M   'P 4/n n c :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.97
_cell_length_b                   6.97
_cell_length_c                   10.43
_cell_formula_units_Z            2
_cell_volume                     506.699
_database_code_amcsd             0017196
_exptl_crystal_density_diffrn    2.483
_cod_duplicate_entry             1010270
_cod_original_sg_symbol_H-M      'P 4/n n c'
_cod_database_code               9015378
_amcsd_formula_title             'Ag Co H6 N6 O8'
Structure refinements of the mixed crystal K0.78(NH4)0.22H2PO4 in the temperature range from 20 K to 250K Note: T = 20 K
Ono, Y.; Yamada, N.; Hikita, T.; Journal of the Physical Society of Japan 60 (1991) 2673–2677; doi:10.1143/JPSJ.60.2673

data_9015379
_publ_section_title
;
 Structure refinements of the mixed crystal K0.78(NH4)0.22H2PO4
 in the temperature range from 20 K to 250K
 Note: T = 20 K
;
_journal_name_full               'Journal of the Physical Society of Japan'
_journal_page_first              2673
_journal_page_last               2677
_journal_paper_doi               10.1143/JPSJ.60.2673
_journal_volume                  60
_journal_year                    1991
_chemical_compound_source        Synthetic
_chemical_formula_sum            'H0.88 K0.78 N0.22 O4 P'
_chemical_name_mineral           Archerite
_space_group_IT_number           122
_symmetry_space_group_name_Hall  'I -4 2bw'
_symmetry_space_group_name_H-M   'I -4 2 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.4398
_cell_length_b                   7.4398
_cell_length_c                   7.0454
_cell_formula_units_Z            4
_cell_volume                     389.967
_database_code_amcsd             0019080
_exptl_crystal_density_diffrn    2.205
_cod_original_formula_sum        'K.78 N.22 H.88 P O4'
_cod_database_code               9015379
The Crystal Structure of Potassium Metaborate K3 (B3 O6) _cod_database_code 1010521
Zachariasen, W.; Journal of Chemical Physics 5 (1937) 919–922; doi:10.1063/1.1749962

data_9015380
_publ_section_title
;
 The Crystal Structure of Potassium Metaborate K3 (B3 O6)
 _cod_database_code 1010521
;
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              919
_journal_page_last               922
_journal_paper_doi               10.1063/1.1749962
_journal_volume                  5
_journal_year                    1937
_chemical_formula_sum            'B K O2'
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-P 3* 2n'
_symmetry_space_group_name_H-M   'R -3 c :R'
_cell_angle_alpha                110.6
_cell_angle_beta                 110.6
_cell_angle_gamma                110.6
_cell_length_a                   7.76
_cell_length_b                   7.76
_cell_length_c                   7.76
_cell_formula_units_Z            6
_cell_volume                     343.866
_database_code_amcsd             0017432
_exptl_crystal_density_diffrn    2.373
_cod_duplicate_entry             1010521
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        'K B O2'
_cod_database_code               9015380
_amcsd_formula_title             'B3 K3 O6'
Die Kristallstruktur von Caesiumdithionat, Cs~2~S~2~O~6~
Haegg, G.; Zeitschrift für Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie 18 (1932) 327–342; doi:

data_9015381
_publ_section_title
;
 Die Kristallstruktur von Caesiumdithionat, Cs~2~S~2~O~6~
;
_journal_coden_ASTM              ZPCBAL
_journal_name_full
;
Zeitschrift f\"ur Physikalische Chemie, Abteilung B: Chemie der
Elementarprozesse, Aufbau der Materie
;
_journal_page_first              327
_journal_page_last               342
_journal_volume                  18
_journal_year                    1932
_chemical_formula_sum            'Cs2 O6 S2'
_space_group_IT_number           190
_symmetry_space_group_name_Hall  'P -6c -2c'
_symmetry_space_group_name_H-M   'P -6 2 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   6.326
_cell_length_b                   6.326
_cell_length_c                   11.535
_cell_volume                     399.767
_database_code_amcsd             0017229
_exptl_crystal_density_diffrn    3.539
_cod_duplicate_entry             1010303
_cod_original_formula_sum        'Cs S O3'
_cod_database_code               9015381
_amcsd_formula_title             'Cs2 O6 S2'
Untersuchungen ueber die Kristallstruktur von Sesquioxyden und Verbindungen ABO3 _cod_database_code 1010596
Zachariasen, W.; Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo 1 (1928) 1–165; doi:

data_9015382
_publ_section_title
;
 Untersuchungen ueber die Kristallstruktur von Sesquioxyden und
 Verbindungen ABO3
 _cod_database_code 1010596
;
_journal_name_full
'Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo'
_journal_page_first              1
_journal_page_last               165
_journal_volume                  1
_journal_year                    1928
_chemical_formula_sum            'Br K O3'
_space_group_IT_number           160
_symmetry_space_group_name_Hall  'P 3* -2'
_symmetry_space_group_name_H-M   'R 3 m :R'
_cell_angle_alpha                86.0
_cell_angle_beta                 86.0
_cell_angle_gamma                86.0
_cell_length_a                   4.403
_cell_length_b                   4.403
_cell_length_c                   4.403
_cell_formula_units_Z            1
_cell_volume                     84.762
_database_code_amcsd             0017477
_exptl_crystal_density_diffrn    3.272
_cod_duplicate_entry             1010596
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_original_formula_sum        'K Br O3'
_cod_database_code               9015382
_amcsd_formula_title             'Br K O3'
Hydrothermal synthesis and single-crystal X-ray structure refinement of three borates: sibirskite, parasibirskite and priceite Note: T = 173 K
Sun, W.; Huang, Y.-X.; Li, Z.; Pan, Y.; Mi, J.-X.; The Canadian Mineralogist 49 (2011) 823–834; doi:10.3749/canmin.49.3.823

data_9015383
_publ_section_title
;
 Hydrothermal synthesis and single-crystal X-ray structure refinement of
 three borates: sibirskite, parasibirskite and priceite
 Note: T = 173 K
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              823
_journal_page_last               834
_journal_paper_doi               10.3749/canmin.49.3.823
_journal_volume                  49
_journal_year                    2011
_chemical_compound_source        Synthetic
_chemical_formula_sum            'B Ca H O3'
_chemical_name_mineral           Parasibirskite
_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                 93.245
_cell_angle_gamma                90
_cell_length_a                   6.6798
_cell_length_b                   5.4208
_cell_length_c                   3.5466
_cell_formula_units_Z            2
_cell_volume                     128.216
_database_code_amcsd             0018465
_exptl_crystal_density_diffrn    2.588
_cod_original_formula_sum        'Ca H B O3'
_cod_database_code               9015383
Na-Li-Be-rich cordierite from the Murzinka pegmatite field, Middle Urals, Russia
Sokol, E. V.; Seryotkin, Y. V.; Bul'bak, T. A.; European Journal of Mineralogy 22 (2010) 565–575; doi:10.1127/0935-1221/2010/0022-2013

data_9015384
_publ_section_title
;
 Na-Li-Be-rich cordierite from the Murzinka pegmatite field, Middle Urals, Russia
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              565
_journal_page_last               575
_journal_paper_doi               10.1127/0935-1221/2010/0022-2013
_journal_volume                  22
_journal_year                    2010
_chemical_compound_source
'Murzinka pegmatite field, MIddle Ural Mountains, Russia'
_chemical_formula_sum
'Al3.8 Be0.16 Fe0.3 H1.292 Li0.06 Mg1.66 Mn0.02 Na0.235 O18.646 Si5'
_chemical_name_mineral           Cordierite
_space_group_IT_number           66
_symmetry_space_group_name_Hall  '-C 2 2c'
_symmetry_space_group_name_H-M   'C c c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.0046
_cell_length_b                   9.73133
_cell_length_c                   9.31989
_cell_volume                     1542.231
_database_code_amcsd             0017555
_exptl_crystal_density_diffrn    2.619
_cod_original_formula_sum
'Na.235 O18.646 Mn.02 Li.06 Fe.3 Mg1.66 Be.16 Al3.8 Si5 H1.292'
_cod_database_code               9015384
The effect of oxo-component on the high-pressure behavior of amphiboles Sample: FR12 P = 3.74 GPa
Comopdi, P.; Boffa Ballaran, T.; Zanazzi, P. F.; Capalbo, C.; Zanetti, A.; Nazzareni, S.; American Mineralogist 95 (2010) 1042–1051; doi:10.2138/am.2010.3429

data_9015385
_publ_section_title
;
 The effect of oxo-component on the high-pressure behavior of amphiboles
 Sample: FR12 P = 3.74 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1042
_journal_page_last               1051
_journal_paper_doi               10.2138/am.2010.3429
_journal_volume                  95
_journal_year                    2010
_chemical_compound_source
'an alkaline basalt of the Massif Central, France'
_chemical_formula_sum            'Ca1.78 Fe1.72 H2 K0.08 Mg3.5 Na1.06 O24 Si8'
_chemical_name_mineral           Kaersutite
_space_group_IT_number           12
_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                 105.92
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.691
_cell_length_b                   17.831
_cell_length_c                   5.247
_cell_volume                     871.908
_database_code_amcsd             0005063
_exptl_crystal_density_diffrn    3.392
_cod_original_formula_sum        'Si8 Fe1.72 Mg3.5 Ca1.78 Na1.06 K.08 O24 H2'
_cod_database_code               9015385
Refined Muscovite structure _cod_database_code 1100010
Birle, J.; Tettenhorst, R.; Mineralogical Magazine 36 (1968) 883–886; doi:10.1180/minmag.1968.036.282.24

data_9015386
_publ_section_title
;
 Refined Muscovite structure
 _cod_database_code 1100010
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              883
_journal_page_last               886
_journal_paper_doi               10.1180/minmag.1968.036.282.24
_journal_volume                  36
_journal_year                    1968
_chemical_formula_sum            'Al2.88 Fe0.12 K O12 Si3'
_chemical_name_mineral           Muscovite
_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                 95.18
_cell_angle_gamma                90
_cell_length_a                   5.194
_cell_length_b                   8.996
_cell_length_c                   20.09599
_cell_formula_units_Z            4
_cell_volume                     935.155
_database_code_amcsd             0018219
_exptl_crystal_density_diffrn    2.839
_cod_duplicate_entry             1100010
_cod_original_formula_sum        'Al2.88 Fe.12 O12 Si3 K'
_cod_database_code               9015386
Structure d'un paratungstate d'ammonium (NH4)6H6W12O42(H2O)10
Averbuch-Pouchot, M. T.; Tordjman, I.; Durif, A.; Guitel, J. C.; Acta Crystallographica, Section B 35 (1979) 1675–1677; doi:10.1107/S0567740879007378

data_9015387
_publ_section_title
;
 Structure d'un paratungstate d'ammonium (NH4)6H6W12O42(H2O)10
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              1675
_journal_page_last               1677
_journal_paper_doi               10.1107/S0567740879007378
_journal_volume                  35
_journal_year                    1979
_chemical_formula_sum            'N3 O26 W6'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                102.46
_cell_angle_beta                 97.31
_cell_angle_gamma                88.61
_cell_length_a                   11.94
_cell_length_b                   13.21
_cell_length_c                   16.63
_cell_formula_units_Z            4
_cell_volume                     2540.396
_database_code_amcsd             0009686
_exptl_crystal_density_diffrn    4.082
_cod_duplicate_entry             1007039
_cod_original_formula_sum        'W6 O26 N3'
_cod_database_code               9015387
_amcsd_formula_title             (NH4)6H6W12O42(H2O)10
Pseudolyonsite, Cu3(VO4)2, a new mineral species from the Tolbachik volcano, Kamchatka Peninsula, Russia
Zelenski, M. E.; Zubkova, N. V.; Pekov, I. V.; Boldyreva, M. M.; Pushcharovsky, D. Y.; Nekrasov, A. N.; European Journal of Mineralogy 23 (2011) 475–481; doi:10.1127/0935-1221/2011/0023-2101

data_9015388
_publ_section_title
;
 Pseudolyonsite, Cu3(VO4)2, a new mineral species
 from the Tolbachik volcano, Kamchatka Peninsula, Russia
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              475
_journal_page_last               481
_journal_paper_doi               10.1127/0935-1221/2011/0023-2101
_journal_volume                  23
_journal_year                    2011
_chemical_compound_source
'Tolbachik volcano, Kamchatka Peninsula, Russia'
_chemical_formula_sum            'Cu2.64 Mo0.04 O8 V1.94 Zn0.36'
_chemical_name_mineral           Pseudolyonsite
_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                 111.96
_cell_angle_gamma                90
_cell_length_a                   6.2695
_cell_length_b                   8.0195
_cell_length_c                   6.3620
_cell_formula_units_Z            2
_cell_volume                     296.662
_database_code_amcsd             0018365
_exptl_crystal_density_diffrn    4.724
_cod_original_formula_sum        'V1.94 Mo.04 (Cu2.64 Zn.36) O8'
_cod_database_code               9015388
Synthese et etude structurale de l'oxyde double Dy5 Re2 O12 _cod_database_code 1001257
Baud, G.; Besse, J.; Chevalier, R.; Gasperin, M.; Materials Chemistry and Physics 8 (1983) 93–99; doi:10.1016/0254-0584(83)90042-1

data_9015389
_publ_section_title
;
 Synthese et etude structurale de l'oxyde double Dy5 Re2 O12
 _cod_database_code 1001257
;
_journal_name_full               'Materials Chemistry and Physics'
_journal_page_first              93
_journal_page_last               99
_journal_paper_doi               10.1016/0254-0584(83)90042-1
_journal_volume                  8
_journal_year                    1983
_chemical_formula_sum            'Dy2.5 O6 Re'
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2c'
_symmetry_space_group_name_H-M   'P 1 1 21/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                107.8
_cell_length_a                   12.425
_cell_length_b                   7.511
_cell_length_c                   5.653
_cell_formula_units_Z            4
_cell_volume                     502.307
_database_code_amcsd             0014202
_exptl_crystal_density_diffrn    9.104
_cod_duplicate_entry             1001257
_cod_original_sg_symbol_H-M      'P 1 1 2/c'
_cod_original_formula_sum        'Re Dy2.5 O6'
_cod_database_code               9015389
_amcsd_formula_title             'Dy5 O12 Re2'
Texture and structural refinement using neutron diffraction data from molybdite (MoO3) and calcite (CaCO3) powders and a Ni-rich Ni50.7Ti49.30 alloy Note: March model
Sitepu, H.; Powder Diffraction 24 (2009) 315–326; doi:10.1154/1.3257906

data_9015390
_publ_section_title
;
 Texture and structural refinement using neutron diffraction data from
 molybdite (MoO3) and calcite (CaCO3) powders and a Ni-rich Ni50.7Ti49.30 alloy
 Note: March model
;
_journal_name_full               'Powder Diffraction'
_journal_page_first              315
_journal_page_last               326
_journal_paper_doi               10.1154/1.3257906
_journal_volume                  24
_journal_year                    2009
_chemical_compound_source        Synthetic
_chemical_formula_sum            'C Ca O3'
_chemical_name_mineral           Calcite
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.99029
_cell_length_b                   4.99029
_cell_length_c                   17.0687
_cell_formula_units_Z            6
_cell_volume                     368.114
_database_code_amcsd             0018896
_exptl_crystal_density_diffrn    2.709
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        'Ca C O3'
_cod_database_code               9015390
Ferroericssonite, the Fe2+ analogue of ericssonite, from eastern Fresno County, California, U.S.A.
Kampf, A. R.; Roberts, A. C.; Venance, K. E.; Dunning, G. E.; Walstrom, R. E.; The Canadian Mineralogist 49 (2011) 587–594; doi:10.3749/canmin.49.2.587

data_9015391
_publ_section_title
;
 Ferroericssonite, the Fe2+ analogue of ericssonite, from eastern Fresno County, California, U.S.A.
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              587
_journal_page_last               594
_journal_paper_doi               10.3749/canmin.49.2.587
_journal_volume                  49
_journal_year                    2011
_chemical_compound_source
'Esquire #8 claim, Big Creek, eastern Fresno County, California, USA'
_chemical_formula_sum            'Ba Cl0.23 Fe3 H0.77 O8.77 Si2'
_chemical_name_mineral           Ferroericssonite
_space_group_IT_number           12
_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                 94.874
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   20.3459
_cell_length_b                   7.0119
_cell_length_c                   5.3879
_cell_volume                     765.877
_database_code_amcsd             0018382
_exptl_crystal_density_diffrn    4.425
_cod_original_formula_sum        'Ba Fe3 Si2 O8.77 (Cl.23 H.77)'
_cod_database_code               9015391