LMucko/crystallography-open-database huggingface dataset:
Ba2 Co Cl6: Synthese, Kristallstruktur und spektroskopische Eigenschaften
Assoud, A.; Wickleder, C.; Meyer, G.; Zeitschrift fuer Anorganische und Allgemeine Chemie 626 (2000) 2103–2106; doi:

data_1541946
_publ_section_title
;
 Ba2 Co Cl6: Synthese, Kristallstruktur und spektroskopische Eigenschaften
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              2103
_journal_page_last               2106
_journal_volume                  626
_journal_year                    2000
_chemical_formula_sum            'Ba4 Cl12 Co2'
_chemical_name_systematic        'Ba4 (Co2 Cl10) Cl2'
_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                 90.22
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.141
_cell_length_b                   8.114
_cell_length_c                   12.797
_cell_volume                     949.147
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Assoud_ZAACAB_2000_241.cif
_cod_data_source_block           Ba4Cl12Co2
_cod_original_cell_volume        949.1475
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_database_code               1541946
Crystal structure of barium lead antimony bismuth oxide
Bente, K.; Steins, M.; Blum, W.; Zeitschrift fuer Kristallographie (149,1979-) 206 (1993) 304–305; doi:

data_8104407
_publ_section_title
;
 Crystal structure of barium lead antimony bismuth oxide
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              304
_journal_page_last               305
_journal_volume                  206
_journal_year                    1993
_chemical_formula_sum            'Ba Bi0.05 O3 Pb0.7 Sb0.25'
_chemical_name_systematic        'Ba (Pb0.7 Sb0.25 Bi0.05) O3'
_space_group_IT_number           221
_symmetry_space_group_name_Hall  '-P 4 2 3'
_symmetry_space_group_name_H-M   'P m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   4.256
_cell_length_b                   4.256
_cell_length_c                   4.256
_cell_volume                     77.091
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Bente_ZEKRDZ_1993_1548.cif
_cod_data_source_block           Ba1Bi0.05O3Pb0.7Sb0.25
_cod_original_cell_volume        77.09121
_cod_original_formula_sum        'Ba1 Bi0.05 O3 Pb0.7 Sb0.25'
_cod_database_code               8104407
The crystal structure of the orthorhombic modification of Bi O H Cr O4. A refinement of the structure of monoclinic Bi O H Cr O4
Aurivillius, B.; Loewenhielm, A.; Acta Chemica Scandinavica (1-27,1973-42,1988) 18 (1964) 1937–1957; doi:

data_1541947
_publ_section_title
;
 The crystal structure of the orthorhombic modification of Bi O H Cr O4. A
 refinement of the structure of monoclinic Bi O H Cr O4
;
_journal_name_full
'Acta Chemica Scandinavica (1-27,1973-42,1988)'
_journal_page_first              1937
_journal_page_last               1957
_journal_volume                  18
_journal_year                    1964
_chemical_formula_sum            'Bi Cr H O5'
_chemical_name_systematic        'Bi (Cr O4 (O H))'
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   11.311
_cell_length_b                   9.728
_cell_length_c                   7.314
_cell_volume                     804.784
_citation_journal_id_ASTM        ACSAA4
_cod_data_source_file            Aurivillius_ACSAA4_1964_723.cif
_cod_data_source_block           H1Bi1Cr1O5
_cod_original_cell_volume        804.7843
_cod_original_formula_sum        'H1 Bi1 Cr1 O5'
_cod_database_code               1541947
Etude structurale et magnetique des oxydes Perovskites Ba2 Nb V O6 et Sr2 Ta V O6
Bernier, J.C.; Chauvel, C.; Kahn, O.; Journal of Solid State Chemistry 11 (1974) 265–271; doi:

data_1541948
_publ_section_title
;
 Etude structurale et magnetique des oxydes Perovskites Ba2 Nb V O6 et Sr2
 Ta V O6
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              265
_journal_page_last               271
_journal_volume                  11
_journal_year                    1974
_chemical_formula_sum            'O3 Sr Ta0.5 V0.5'
_chemical_name_systematic        'Sr Ta.5 V.5 O3'
_space_group_IT_number           221
_symmetry_space_group_name_Hall  '-P 4 2 3'
_symmetry_space_group_name_H-M   'P m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   4.051
_cell_length_b                   4.051
_cell_length_c                   4.051
_cell_volume                     66.479
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Bernier_JSSCBI_1974_1607.cif
_cod_data_source_block           O3Sr1Ta0.5V0.5
_cod_original_cell_volume        66.47935
_cod_original_formula_sum        'O3 Sr1 Ta0.5 V0.5'
_cod_database_code               1541948
The crystal structure of Bromotris(tetracarbonylcobalt) tin(IV)
Ball, R.D.; Hall, D.; Journal of Organometallic Chemistry 52 (1973) 293–295; doi:

data_4031801
_publ_section_title
;
 The crystal structure of Bromotris(tetracarbonylcobalt) tin(IV)
;
_journal_name_full               'Journal of Organometallic Chemistry'
_journal_page_first              293
_journal_page_last               295
_journal_volume                  52
_journal_year                    1973
_chemical_formula_sum            'C12 Br Co3 O12 Sn'
_chemical_name_systematic        'Br Sn (Co (C O)4)3'
_space_group_IT_number           173
_symmetry_space_group_name_Hall  'P 6c'
_symmetry_space_group_name_H-M   'P 63'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   10.2
_cell_length_b                   10.2
_cell_length_c                   11.81
_cell_volume                     1064.096
_citation_journal_id_ASTM        JORCAI
_cod_data_source_file            Ball_JORCAI_1973_1108.cif
_cod_data_source_block           C12Br1Co3O12Sn1
_cod_original_formula_sum        'C12 Br1 Co3 O12 Sn1'
_cod_database_code               4031801
Proprietes structurales des solutions solides Ba3 Fe2-x Mx U O9 ou M est un element trivalent
Berthon, J.; Grenet, J.C.; Poix, P.; Annales de Chimie (Paris) 4 (1979) 609–621; doi:

data_1541949
_publ_section_title
;
 Proprietes structurales des solutions solides Ba3 Fe2-x Mx U O9 ou M est
 un element trivalent
;
_journal_name_full               'Annales de Chimie (Paris)'
_journal_page_first              609
_journal_page_last               621
_journal_volume                  4
_journal_year                    1979
_chemical_formula_sum            'Ba8 Fe5.064 In0.268 O24 U2.668'
_chemical_name_systematic        'Ba8 Fe5.064 In0.268 U2.668 O24'
_space_group_IT_number           205
_symmetry_space_group_name_Hall  '-P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P a -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   8.269
_cell_length_b                   8.269
_cell_length_c                   8.269
_cell_volume                     565.404
_citation_journal_id_ASTM        ANCPAC
_cod_data_source_file            Berthon_ANCPAC_1979_1210.cif
_cod_data_source_block           Ba8Fe5.064In0.268O24U2.668
_cod_original_cell_volume        565.4041
_cod_database_code               1541949
The Crystal Structure of Cadmium Sodium Orthovanadate Cd4 Na (V O4)3
Ben Amara, M.; Vlasse, M.; Olazcuaga, R.; le Flem, G.; Acta Crystallographica B (24,1968-38,1982) 35 (1979) 50–52; doi:

data_2107391
_publ_section_title
;
 The Crystal Structure of Cadmium Sodium Orthovanadate Cd4 Na (V O4)3
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              50
_journal_page_last               52
_journal_volume                  35
_journal_year                    1979
_chemical_formula_sum            'Cd1.3332 Na0.3333 O3.9996 V0.9999'
_chemical_name_systematic        '(Cd4 Na (V O4)3).3333'
_space_group_IT_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                   9.82
_cell_length_b                   7.04
_cell_length_c                   5.36
_cell_volume                     370.552
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            BenAmara_ACBCAR_1979_1751.cif
_cod_data_source_block           Cd1.3332Na0.3333O3.9996V0.9999
_cod_original_cell_volume        370.5518
_cod_original_sg_symbol_Hall     'P 2c -2n (-x,z,y)'
_cod_database_code               2107391
Proprietes structurales des solutions solides Ba3 Fe2-x Mx U O9 ou M est un element trivalent
Berthon, J.; Grenet, J.C.; Poix, P.; Annales de Chimie (Paris) 4 (1979) 609–621; doi:

data_1541950
_publ_section_title
;
 Proprietes structurales des solutions solides Ba3 Fe2-x Mx U O9 ou M est
 un element trivalent
;
_journal_name_full               'Annales de Chimie (Paris)'
_journal_page_first              609
_journal_page_last               621
_journal_volume                  4
_journal_year                    1979
_chemical_formula_sum            'Ba8 Fe4 In1.332 O24 U2.668'
_chemical_name_systematic        'Ba8 Fe4 In1.332 U2.668 O24'
_space_group_IT_number           205
_symmetry_space_group_name_Hall  '-P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P a -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   8.319
_cell_length_b                   8.319
_cell_length_c                   8.319
_cell_volume                     575.723
_citation_journal_id_ASTM        ANCPAC
_cod_data_source_file            Berthon_ANCPAC_1979_1213.cif
_cod_data_source_block           Ba8Fe4In1.332O24U2.668
_cod_original_cell_volume        575.7228
_cod_database_code               1541950
Crystal structure of dipotassium diphosphidogallate
Blase, W.; Cordier, G.; Somer, M.; Zeitschrift fuer Kristallographie (149,1979-) 195 (1991) 115–116; doi:

data_8104408
_publ_section_title
;
 Crystal structure of dipotassium diphosphidogallate
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              115
_journal_page_last               116
_journal_volume                  195
_journal_year                    1991
_chemical_formula_sum            'Ga K2 P2'
_chemical_name_systematic        'K2 (Ga P2)'
_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                 109.37
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   10.215
_cell_length_b                   14.016
_cell_length_c                   8.636
_cell_volume                     1166.459
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Blase_ZEKRDZ_1991_1435.cif
_cod_data_source_block           Ga1K2P2
_cod_original_cell_volume        1166.458
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_original_formula_sum        'Ga1 K2 P2'
_cod_database_code               8104408
Crystal structure of trisodium diphosphidoindate
Blase, W.; Cordier, G.; Somer, M.; Zeitschrift fuer Kristallographie (149,1979-) 195 (1991) 119–120; doi:

data_8104409
_publ_section_title
;
 Crystal structure of trisodium diphosphidoindate
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              119
_journal_page_last               120
_journal_volume                  195
_journal_year                    1991
_chemical_formula_sum            'In Na3 P2'
_chemical_name_systematic        'Na3 (In P2)'
_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                 92.39
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   9.401
_cell_length_b                   7.371
_cell_length_c                   15.358
_cell_volume                     1063.303
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Blase_ZEKRDZ_1991_1437.cif
_cod_data_source_block           In1Na3P2
_cod_original_formula_sum        'In1 Na3 P2'
_cod_database_code               8104409
Crystal structure of hexapotassium triphosphidoindate
Blase, W.; Somer, M.; Cordier, G.; Zeitschrift fuer Kristallographie (149,1979-) 195 (1991) 121–122; doi:

data_8104410
_publ_section_title
;
 Crystal structure of hexapotassium triphosphidoindate
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              121
_journal_page_last               122
_journal_volume                  195
_journal_year                    1991
_chemical_formula_sum            'In K6 P3'
_chemical_name_systematic        'K6 (In P3)'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                82.03
_cell_angle_beta                 73.11
_cell_angle_gamma                60.48
_cell_formula_units_Z            2
_cell_length_a                   8.88
_cell_length_b                   8.935
_cell_length_c                   9.952
_cell_volume                     657.465
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Blase_ZEKRDZ_1991_1438.cif
_cod_data_source_block           In1K6P3
_cod_original_cell_volume        657.4654
_cod_original_formula_sum        'In1 K6 P3'
_cod_database_code               8104410
Die Kristallstruktur des hexagonalen und rhombischen Barium-Platinat-Titanats
Blattner, H.; Graenicher, H.; Kaenzig, W.; Merz, W.; Helvetica Physica Acta 21 (1948) 341–354; doi:

data_1541951
_publ_section_title
;
 Die Kristallstruktur des hexagonalen und rhombischen
 Barium-Platinat-Titanats
;
_journal_name_full               'Helvetica Physica Acta'
_journal_page_first              341
_journal_page_last               354
_journal_volume                  21
_journal_year                    1948
_chemical_formula_sum            'Ba O3 Pt0.25 Ti0.75'
_chemical_name_systematic        'Ba (Ti0.75 Pt0.25) O3'
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   5.706
_cell_length_b                   5.706
_cell_length_c                   14.02
_cell_volume                     395.314
_citation_journal_id_ASTM        HPACAK
_cod_data_source_file            Blattner_HPACAK_1948_157.cif
_cod_data_source_block           Ba1O3Pt0.25Ti0.75
_cod_original_formula_sum        'Ba1 O3 Pt0.25 Ti0.75'
_cod_database_code               1541951
Crystal structure of hexarubidium triantimonidoaluminate, Rb6 Al Sb3
Blase, W.; Cordier, G.; Somer, M.; Zeitschrift fuer Kristallographie (149,1979-) 199 (1992) 279–280; doi:

data_8104411
_publ_section_title
;
 Crystal structure of hexarubidium triantimonidoaluminate, Rb6 Al Sb3
;
_journal_name_full               'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              279
_journal_page_last               280
_journal_volume                  199
_journal_year                    1992
_chemical_formula_sum            'Al Rb6 Sb3'
_chemical_name_systematic        'Rb6 (Al Sb3)'
_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                 100.7
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.624
_cell_length_b                   6.26
_cell_length_c                   12.377
_cell_volume                     808.835
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Blase_ZEKRDZ_1992_1497.cif
_cod_data_source_block           Al1Rb6Sb3
_cod_original_cell_volume        808.8355
_cod_original_formula_sum        'Al1 Rb6 Sb3'
_cod_database_code               8104411
Die Kristallstruktur des hexagonalen und rhombischen Barium-Platinat-Titanats
Blattner, H.; Graenicher, H.; Merz, W.; Kaenzig, W.; Helvetica Physica Acta 21 (1948) 341–354; doi:

data_1541952
_publ_section_title
;
 Die Kristallstruktur des hexagonalen und rhombischen
 Barium-Platinat-Titanats
;
_journal_name_full               'Helvetica Physica Acta'
_journal_page_first              341
_journal_page_last               354
_journal_volume                  21
_journal_year                    1948
_chemical_formula_sum            'Ba4 O10 Pt Ti2'
_chemical_name_systematic        'Ba4 Ti2 Pt O10'
_space_group_IT_number           64
_symmetry_space_group_name_Hall  '-A 2 2ab'
_symmetry_space_group_name_H-M   'A e a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.09
_cell_length_b                   13.33
_cell_length_c                   5.77
_cell_volume                     1006.806
_citation_journal_id_ASTM        HPACAK
_cod_data_source_file            Blattner_HPACAK_1948_165.cif
_cod_data_source_block           Ba4O10Pt1Ti2
_cod_original_sg_symbol_Hall     '-C 2ac 2 (z,y,-x)'
_cod_original_sg_symbol_H-M      'A c a m'
_cod_original_formula_sum        'Ba4 O10 Pt1 Ti2'
_cod_database_code               1541952
Die Kristallstruktur von Bi2 O2 Se
Boller, H.; Monatshefte fuer Chemie (-108,1977) 104 (1973) 916–919; doi:

data_1541953
_publ_section_title
;
 Die Kristallstruktur von Bi2 O2 Se
;
_journal_name_full               'Monatshefte fuer Chemie (-108,1977)'
_journal_page_first              916
_journal_page_last               919
_journal_volume                  104
_journal_year                    1973
_chemical_formula_sum            'Bi2 O2 Se'
_chemical_name_systematic        'Bi2 Se O2'
_space_group_IT_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                   3.891
_cell_length_b                   3.891
_cell_length_c                   12.213
_cell_volume                     184.903
_citation_journal_id_ASTM        MOCHAP
_cod_data_source_file            Boller_MOCHAP_1973_1100.cif
_cod_data_source_block           Bi2O2Se1
_cod_original_cell_volume        184.9034
_cod_original_formula_sum        'Bi2 O2 Se1'
_cod_database_code               1541953
Sulla struttura del cloroaurato(III) di sodio biidrato e di analoghi composti
Bonamico, M.; Dessy, G.; Vaciago, A.; Atti della Accademia Nazionale dei Lincei, Classe di Scienze Fisiche, Matematiche e Naturali, Rendiconti, Serie 8 (1, 1946-) 39 (1965) 504–509; doi:

data_1541954
_publ_section_title
;
 Sulla struttura del cloroaurato(III) di sodio biidrato e di analoghi
 composti
;
_journal_name_full
;
Atti della Accademia Nazionale dei Lincei, Classe di Scienze Fisiche, 
Matematiche e Naturali, Rendiconti, Serie 8 (1, 1946-)
;
_journal_page_first              504
_journal_page_last               509
_journal_volume                  39
_journal_year                    1965
_chemical_formula_sum            'Au Cl4 H4 Na O2'
_chemical_name_systematic        'Na Au Cl4 (H2 O)2'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.818
_cell_length_b                   7.067
_cell_length_c                   8.993
_cell_volume                     814.629
_citation_journal_id_ASTM        AANL8V
_cod_data_source_file            Bonamico_AANL8V_1965_604.cif
_cod_data_source_block           H4Au1Cl4Na1O2
_cod_original_cell_volume        814.6292
_cod_original_formula_sum        'H4 Au1 Cl4 Na1 O2'
_cod_database_code               1541954
Roentgenuntersuchungen des Systems K Cl - Tl Cl
Brauer, G.; Mueller, R.; Zeitschrift fuer Anorganische und Allgemeine Chemie 279 (1955) 138–140; doi:

data_1541955
_publ_section_title
;
 Roentgenuntersuchungen des Systems K Cl - Tl Cl
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              138
_journal_page_last               140
_journal_volume                  279
_journal_year                    1955
_chemical_formula_sum            'Cl K0.05 Tl0.95'
_chemical_name_systematic        'K.05 Tl.95 Cl'
_space_group_IT_number           221
_symmetry_space_group_name_Hall  '-P 4 2 3'
_symmetry_space_group_name_H-M   'P m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.828
_cell_length_b                   3.828
_cell_length_c                   3.828
_cell_volume                     56.094
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Brauer_ZAACAB_1955_887.cif
_cod_data_source_block           Cl1K0.05Tl0.95
_cod_original_cell_volume        56.09392
_cod_original_formula_sum        'Cl1 K0.05 Tl0.95'
_cod_database_code               1541955
Crystal structure of kridite Ca3 Al2 (F, O H)10 S O4 (H2 O)2
Borisov, C.V.; Brusentsev, F.A.; Belov, N.V.; Klevcova, R.F.; Doklady Akademii Nauk SSSR 155 (1964) 1082–1084; doi:

data_1541956
_publ_section_title
;
 Crystal structure of kridite Ca3 Al2 (F, O H)10 S O4 (H2 O)2
;
_journal_name_full               'Doklady Akademii Nauk SSSR'
_journal_page_first              1082
_journal_page_last               1084
_journal_volume                  155
_journal_year                    1964
_chemical_formula_sum            'Al2 Ca3 H14 O16 S'
_chemical_name_systematic        'Ca3 Al2 (O H)10 (S O4) (H2 O)2'
_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                 94.5
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.03
_cell_length_b                   8.51
_cell_length_c                   9.93
_cell_volume                     1181.941
_citation_journal_id_ASTM        DANKAS
_cod_data_source_file            Borisov_DANKAS_1964_672.cif
_cod_data_source_block           H14Al2Ca3O16S1
_cod_original_formula_sum        'H14 Al2 Ca3 O16 S1'
_cod_database_code               1541956