LMucko/crystallography-open-database huggingface dataset:
The crystal structure of a 2M1 lepidolite
Sartori, F.; Tschermaks Mineralogische und Petrographische Mitteilungen (-1978) 24 (1977) 23–37; doi:

data_1525198
_publ_section_title
;
 The crystal structure of a 2M1 lepidolite
;
_journal_name_full
;
Tschermaks Mineralogische und Petrographische Mitteilungen (-1978)
;
_journal_page_first              23
_journal_page_last               37
_journal_volume                  24
_journal_year                    1977
_chemical_formula_sum
'Al1.66 F1.515 H0.485 K Li1.68 O10.485 Si3.58'
_chemical_name_systematic
;
K (Al0.62 Li0.38)2 Li0.92 (Si3.58 Al0.42 O10) (O H)0.485 F1.515
;
_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                 95.74
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.209
_cell_length_b                   9.053
_cell_length_c                   20.053
_cell_volume                     940.899
_citation_journal_id_ASTM        MPMTAG
_cod_data_source_file            Sartori_MPMTAG_1977_326.cif
_cod_data_source_block           H0.485Al1.66F1.515K1Li1.68O10.485Si3.58
_cod_original_cell_volume        940.8995
_cod_original_formula_sum
'H0.485 Al1.66 F1.515 K1 Li1.68 O10.485 Si3.58'
_cod_database_code               1525198
Preparation and properties of new Perovskite type oxides containing divalent europium
Sato, K.; Kiyokawa, H.; Adachi, G.Y.; Shiokawa, J.; Inorganic Chemistry 16 (1977) 328–331; doi:

data_4343688
_publ_section_title
;
 Preparation and properties of new Perovskite type oxides containing
 divalent europium
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              328
_journal_page_last               331
_journal_volume                  16
_journal_year                    1977
_chemical_formula_sum            'Ba2 Eu Nb O5.5'
_chemical_name_systematic        'Eu Ba2 Nb O5.5'
_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_formula_units_Z            4
_cell_length_a                   8.49
_cell_length_b                   8.49
_cell_length_c                   8.49
_cell_volume                     611.960
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Sato_INOCAJ_1977_354.cif
_cod_data_source_block           Ba2Eu1Nb1O5.5
_cod_original_cell_volume        611.96
_cod_original_formula_sum        'Ba2 Eu1 Nb1 O5.5'
_cod_database_code               4343688
Preparation and properties of new Perovskite type oxides containing divalent europium
Sato, K.; Kiyokawa, H.; Adachi, G.Y.; Shiokawa, J.; Inorganic Chemistry 16 (1977) 328–331; doi:

data_4343689
_publ_section_title
;
 Preparation and properties of new Perovskite type oxides containing
 divalent europium
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              328
_journal_page_last               331
_journal_volume                  16
_journal_year                    1977
_chemical_formula_sum            'Ba Eu2 O5.5 Ta'
_chemical_name_systematic        'Eu2 Ba Ta O5.5'
_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_formula_units_Z            4
_cell_length_a                   8.394
_cell_length_b                   8.394
_cell_length_c                   8.394
_cell_volume                     591.435
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Sato_INOCAJ_1977_407.cif
_cod_data_source_block           Ba1Eu2O5.5Ta1
_cod_original_cell_volume        591.4348
_cod_original_formula_sum        'Ba1 Eu2 O5.5 Ta1'
_cod_database_code               4343689
Magnetic properties and anisotropy of (Fe1-x Cox)7 Se8
Sato, M.; Kamimora, T.; Iwata, T.; Journal of the Less-Common Metals 1 (1959) 382–389; doi:

data_1525199
_publ_section_title
;
 Magnetic properties and anisotropy of (Fe1-x Cox)7 Se8
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              382
_journal_page_last               389
_journal_volume                  1
_journal_year                    1959
_chemical_formula_sum            'Co0.4375 Fe0.4375 Se'
_chemical_name_systematic        '(Co0.5 Fe0.5)0.875 Se'
_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            2
_cell_length_a                   3.71
_cell_length_b                   3.71
_cell_length_c                   5.49
_cell_volume                     65.441
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Sato_JCOMAH_1959_984.cif
_cod_data_source_block           Co0.4375Fe0.4375Se1
_cod_original_cell_volume        65.44113
_cod_original_formula_sum        'Co0.4375 Fe0.4375 Se1'
_cod_database_code               1525199
Zur Kenntnis von Na2 Cu4 S3 und K Cu3 Te2
Savelsberg, G.; Schaefer, H.; Materials Research Bulletin 16 (1981) 1291–1297; doi:

data_1525200
_publ_section_title
;
 Zur Kenntnis von Na2 Cu4 S3 und K Cu3 Te2
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              1291
_journal_page_last               1297
_journal_volume                  16
_journal_year                    1981
_chemical_formula_sum            'Cu4 Na2 S3'
_chemical_name_systematic        'Na2 Cu4 S3'
_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                 107.6
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.63
_cell_length_b                   3.86
_cell_length_c                   10.33
_cell_volume                     594.055
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            Savelsberg_MRBUAC_1981_511.cif
_cod_data_source_block           Cu4Na2S3
_cod_original_cell_volume        594.0546
_cod_database_code               1525200
Zur Kenntnis von Na2 Cu4 S3 und K Cu3 Te2
Savelsberg, G.; Schaefer, H.; Materials Research Bulletin 16 (1981) 1291–1297; doi:

data_1525201
_publ_section_title
;
 Zur Kenntnis von Na2 Cu4 S3 und K Cu3 Te2
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              1291
_journal_page_last               1297
_journal_volume                  16
_journal_year                    1981
_chemical_formula_sum            'Cu3 K Te2'
_chemical_name_systematic        'K Cu3 Te2'
_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                 111.86
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.453
_cell_length_b                   4.294
_cell_length_c                   8.661
_cell_volume                     567.895
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            Savelsberg_MRBUAC_1981_512.cif
_cod_data_source_block           Cu3K1Te2
_cod_original_cell_volume        567.8953
_cod_original_formula_sum        'Cu3 K1 Te2'
_cod_database_code               1525201
Die Kristallstrukturen von In Te I und In Se I
Sawitzki, G.; Mueller, D.; Hahn, H.; Materials Research Bulletin 15 (1980) 753–762; doi:

data_1525202
_publ_section_title
;
 Die Kristallstrukturen von In Te I und In Se I
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              753
_journal_page_last               762
_journal_volume                  15
_journal_year                    1980
_chemical_formula_sum            'I In Te'
_chemical_name_systematic        'In Te I'
_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                 117.03
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.076
_cell_length_b                   7.731
_cell_length_c                   8.407
_cell_volume                     467.561
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            Sawitzki_MRBUAC_1980_438.cif
_cod_data_source_block           I1In1Te1
_cod_original_cell_volume        467.5607
_cod_original_formula_sum        'I1 In1 Te1'
_cod_database_code               1525202
Die Kristallstrukturen von In Te I und In Se I
Sawitzki, G.; Mueller, D.; Hahn, H.; Materials Research Bulletin 15 (1980) 753–762; doi:

data_1525203
_publ_section_title
;
 Die Kristallstrukturen von In Te I und In Se I
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              753
_journal_page_last               762
_journal_volume                  15
_journal_year                    1980
_chemical_formula_sum            'I In Se'
_chemical_name_systematic        'In Se I'
_space_group_IT_number           88
_symmetry_space_group_name_Hall  '-I 4ad'
_symmetry_space_group_name_H-M   'I 41/a :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            32
_cell_length_a                   18.618
_cell_length_b                   18.618
_cell_length_c                   10.094
_cell_volume                     3498.882
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            Sawitzki_MRBUAC_1980_439.cif
_cod_data_source_block           I1In1Se1
_cod_original_formula_sum        'I1 In1 Se1'
_cod_database_code               1525203
The crystal structures of Ti Cd and Ti2 Cd
Schablaske, R.V.; Tani, B.S.; Chasanov, M.G.; Transactions of the Metallurgical Society of Aime 224 (1962) 867–868; doi:

data_1525204
_publ_section_title
;
 The crystal structures of Ti Cd and Ti2 Cd
;
_journal_name_full
'Transactions of the Metallurgical Society of Aime'
_journal_page_first              867
_journal_page_last               868
_journal_volume                  224
_journal_year                    1962
_chemical_formula_sum            'Cd Ti'
_space_group_IT_number           129
_symmetry_space_group_name_Hall  'P 4ab 2ab -1ab'
_symmetry_space_group_name_H-M   'P 4/n m m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   2.904
_cell_length_b                   2.904
_cell_length_c                   8.954
_cell_volume                     75.511
_citation_journal_id_ASTM        TMSAAB
_cod_data_source_file            Schablaske_TMSAAB_1962_707.cif
_cod_data_source_block           Cd1Ti1
_cod_original_cell_volume        75.51102
_cod_original_sg_symbol_Hall     '-P 4a 2a (x-1/4,y+1/4,z)'
_cod_original_formula_sum        'Cd1 Ti1'
_cod_database_code               1525204
The crystal structures of Ti Cd and Ti2 Cd
Schablaske, R.V.; Tani, B.S.; Chasanov, M.G.; Transactions of the Metallurgical Society of Aime 224 (1962) 867–868; doi:

data_1525205
_publ_section_title
;
 The crystal structures of Ti Cd and Ti2 Cd
;
_journal_name_full
'Transactions of the Metallurgical Society of Aime'
_journal_page_first              867
_journal_page_last               868
_journal_volume                  224
_journal_year                    1962
_chemical_formula_sum            'Cd Ti2'
_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                   2.865
_cell_length_b                   2.865
_cell_length_c                   13.42
_cell_volume                     110.154
_citation_journal_id_ASTM        TMSAAB
_cod_data_source_file            Schablaske_TMSAAB_1962_708.cif
_cod_data_source_block           Cd1Ti2
_cod_original_cell_volume        110.1544
_cod_original_formula_sum        'Cd1 Ti2'
_cod_database_code               1525205
The crystal structure of Sc Cd3
Schablaske, R.V.; Tani, B.S.; Chasanov, M.G.; Transactions of the Metallurgical Society of Aime 230 (1964) 248–249; doi:

data_1525206
_publ_section_title
;
 The crystal structure of Sc Cd3
;
_journal_name_full
'Transactions of the Metallurgical Society of Aime'
_journal_page_first              248
_journal_page_last               249
_journal_volume                  230
_journal_year                    1964
_chemical_formula_sum            'Cd3 Sc'
_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            2
_cell_length_a                   6.33
_cell_length_b                   6.33
_cell_length_c                   4.853
_cell_volume                     168.402
_citation_journal_id_ASTM        TMSAAB
_cod_data_source_file            Schablaske_TMSAAB_1964_693.cif
_cod_data_source_block           Cd3Sc1
_cod_original_cell_volume        168.4024
_cod_original_formula_sum        'Cd3 Sc1'
_cod_database_code               1525206
Neutron and electron diffraction of the Fe Ti - D (H) - gamma-phase
Schaefer, W.; Will, G.; Schober, T.; Materials Research Bulletin 15 (1980) 627–634; doi:

data_1525207
_publ_section_title
;
 Neutron and electron diffraction of the Fe Ti - D (H) - gamma-phase
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              627
_journal_page_last               634
_journal_volume                  15
_journal_year                    1980
_chemical_formula_sum            'D2 Fe Ti'
_chemical_name_systematic        'Fe Ti D2'
_space_group_IT_number           10
_symmetry_space_group_name_Hall  '-P 2'
_symmetry_space_group_name_H-M   'P 1 1 2/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                97.05
_cell_formula_units_Z            2
_cell_length_a                   4.708
_cell_length_b                   4.697
_cell_length_c                   2.835
_cell_volume                     62.218
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            Schaefer_MRBUAC_1980_433.cif
_cod_data_source_block           D2Fe1Ti1
_cod_original_cell_volume        62.21772
_cod_original_sg_symbol_Hall     '-P 2y (z,x,y)'
_cod_original_formula_sum        'D2 Fe1 Ti1'
_cod_database_code               1525207
Crystal structure and magnetic properties of Cu4 Ni Si2 S7
Schaefer, W.; Nitsche, R.; Scheunemann, K.; Materials Research Bulletin 15 (1980) 933–937; doi:

data_1525208
_publ_section_title
;
 Crystal structure and magnetic properties of Cu4 Ni Si2 S7
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              933
_journal_page_last               937
_journal_volume                  15
_journal_year                    1980
_chemical_formula_sum            'Cu4 Ni S7 Si2'
_chemical_name_systematic        'Cu4 Ni Si2 S7'
_space_group_IT_number           5
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 98.72
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.551
_cell_length_b                   5.313
_cell_length_c                   8.165
_cell_volume                     495.298
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            Schaefer_MRBUAC_1980_473.cif
_cod_data_source_block           Cu4Ni1S7Si2
_cod_original_cell_volume        495.2978
_cod_original_formula_sum        'Cu4 Ni1 S7 Si2'
_cod_database_code               1525208
Die Struktur des Bariumnitrit-Monohydrate Ba (N O2)2 (H2 O)
Schaefer, G.; Fischer, K.F.; Zeitschrift fuer Kristallographie (149,1979-) 155 (1981) 75–79; doi:

data_8103589
_publ_section_title
;
 Die Struktur des Bariumnitrit-Monohydrate Ba (N O2)2 (H2 O)
;
_journal_name_full               'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              75
_journal_page_last               79
_journal_volume                  155
_journal_year                    1981
_chemical_formula_sum            'Ba H2 N2 O5'
_chemical_name_systematic        'Ba (N O2)2 (H2 O)'
_space_group_IT_number           169
_symmetry_space_group_name_Hall  'P 61'
_symmetry_space_group_name_H-M   'P 61'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   7.0833
_cell_length_b                   7.0833
_cell_length_c                   17.987
_cell_volume                     781.557
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Schaefer_ZEKRDZ_1981_301.cif
_cod_data_source_block           H2Ba1N2O5
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2018-09-25
;
_cod_original_cell_volume        781.5569
_cod_original_formula_sum        'H2 Ba1 N2 O5'
_cod_database_code               8103589
Structural phase transitions of Fe Ti - deuterides
Schefer, J.; Andresen, A.F.; Fischer, P.; Haelg, W.; Schlapbach, L.; Stucki, F.; Materials Research Bulletin 14 (1979) 1281–1294; doi:

data_1525209
_publ_section_title
;
 Structural phase transitions of Fe Ti - deuterides
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              1281
_journal_page_last               1294
_journal_volume                  14
_journal_year                    1979
_chemical_formula_sum            'D1.37 Fe Ti'
_chemical_name_systematic        'Fe Ti D1.37'
_space_group_IT_number           17
_symmetry_space_group_name_Hall  'P 2c 2'
_symmetry_space_group_name_H-M   'P 2 2 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.088
_cell_length_b                   4.515
_cell_length_c                   4.391
_cell_volume                     61.221
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            Schefer_MRBUAC_1979_398.cif
_cod_data_source_block           D1.37Fe1Ti1
_cod_original_cell_volume        61.22072
_cod_original_formula_sum        'D1.37 Fe1 Ti1'
_cod_database_code               1525209
Structural phase transitions of Fe Ti - deuterides
Schefer, J.; Schlapbach, L.; Fischer, P.; Haelg, W.; Stucki, F.; Andresen, A.F.; Materials Research Bulletin 14 (1979) 1281–1294; doi:

data_1525210
_publ_section_title
;
 Structural phase transitions of Fe Ti - deuterides
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              1281
_journal_page_last               1294
_journal_volume                  14
_journal_year                    1979
_chemical_formula_sum            'D1.73 Fe Ti'
_chemical_name_systematic        'Fe Ti D1.73'
_space_group_IT_number           10
_symmetry_space_group_name_Hall  '-P 2y'
_symmetry_space_group_name_H-M   'P 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 96.93
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.706
_cell_length_b                   2.8347
_cell_length_c                   4.697
_cell_volume                     62.201
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            Schefer_MRBUAC_1979_399.cif
_cod_data_source_block           D1.73Fe1Ti1
_cod_original_cell_volume        62.20068
_cod_original_formula_sum        'D1.73 Fe1 Ti1'
_cod_database_code               1525210
Ueber Schwefelapatite: Ba5 S (As O4)2 S O4, Sr5 S (As O4)2 S O4 und Sr5 S (P O4)2 S O4
Schiff-Francois, A.; Savelsberg, G.; Schaefer, H.; Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986) 34 (1979) 764–765; doi:

data_7221244
_publ_section_title
;
 Ueber Schwefelapatite: Ba5 S (As O4)2 S O4, Sr5 S (As O4)2 S O4 und Sr5 S
 (P O4)2 S O4
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische 
Chemie (33,1978-41,1986)
;
_journal_page_first              764
_journal_page_last               765
_journal_volume                  34
_journal_year                    1979
_chemical_formula_sum            'As2 Ba5 O12 S2'
_chemical_name_systematic        'Ba5 S (As O4)2 S O4'
_space_group_IT_number           176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   10.526
_cell_length_b                   10.526
_cell_length_c                   7.737
_cell_volume                     742.386
_citation_journal_id_ASTM        ZNBAD2
_cod_data_source_file            Schiff-Francois_ZNBAD2_1979_355.cif
_cod_data_source_block           As2Ba5O12S2
_cod_original_cell_volume        742.3863
_cod_database_code               7221244
The thorium-copper system
Schiltz, R.J.; Stevens, E.R.jr.; Carlson, O.N.; Journal of the Less-Common Metals 25 (1971) 175–185; doi:

data_1525211
_publ_section_title
;
 The thorium-copper system
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              175
_journal_page_last               185
_journal_volume                  25
_journal_year                    1971
_chemical_formula_sum            'Cu6 Th'
_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                   8.1103
_cell_length_b                   5.0817
_cell_length_c                   10.1046
_cell_volume                     416.452
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Schiltz_JCOMAH_1971_1631.cif
_cod_data_source_block           Cu6Th1
_cod_original_cell_volume        416.4521
_cod_original_formula_sum        'Cu6 Th1'
_cod_database_code               1525211
Positions of cations and molecules in zeolites with the mordenite-type framework. (VI). Dehydrated barium mordenite
Schlenker, J.L.; Pluth, J.J.; Smith, J.V.; Materials Research Bulletin 13 (1978) 169–174; doi:

data_1525212
_publ_section_title
;
 Positions of cations and molecules in zeolites with the mordenite-type
 framework. (VI). Dehydrated barium mordenite
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              169
_journal_page_last               174
_journal_volume                  13
_journal_year                    1978
_chemical_formula_sum            'Al8.6 Ba3.32 Ca0.32 O96 Si39.9'
_chemical_name_systematic        'Ca0.32 Ba3.32 (Al8.6 Si39.9 O96)'
_space_group_IT_number           60
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   17.974
_cell_length_b                   20.3199
_cell_length_c                   7.419
_cell_volume                     2709.640
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            Schlenker_MRBUAC_1978_222.cif
_cod_data_source_block           Al8.6Ba3.32Ca0.32O96Si39.9
_cod_original_cell_volume        2709.641
_cod_database_code               1525212