LMucko/crystallography-open-database huggingface dataset:
Darstellung und Kristallstrukturen der Phasen 6R- Cux M1+y S2 (M= Nb, Ta)
Harbrecht, B.; Kreiner, G.; Zeitschrift fuer Anorganische und Allgemeine Chemie 572 (1989) 47–54; doi:

data_1535023
_publ_section_title
;
 Darstellung und Kristallstrukturen der Phasen 6R- Cux M1+y S2 (M= Nb, Ta)
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              47
_journal_page_last               54
_journal_volume                  572
_journal_year                    1989
_chemical_formula_sum            'Cu0.23 Nb1.2 S2'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   3.3227
_cell_length_b                   3.3227
_cell_length_c                   38.409
_cell_volume                     367.237
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Harbrecht_ZAACAB_1989_1883.cif
_cod_data_source_block           Cu0.23Nb1.2S2
_cod_original_cell_volume        367.2365
_cod_database_code               1535023
Synthese, Struktur und Phasenumwandlung von Te4 (As F6)2 * (S O2)
Beck, J.; Steden, F.; Reich, A.; Foelsing, H.; Zeitschrift fuer Anorganische und Allgemeine Chemie 629 (2003) 1073–1079; doi:

data_1535024
_publ_section_title
;
 Synthese, Struktur und Phasenumwandlung von Te4 (As F6)2 * (S O2)
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1073
_journal_page_last               1079
_journal_volume                  629
_journal_year                    2003
_chemical_formula_sum            'As2 F12 O2 S Te4'
_chemical_name_systematic        '(Te4 (As F6)2) (S O2)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ac'
_symmetry_space_group_name_H-M   'P 1 1 21/a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                83.635
_cell_formula_units_Z            4
_cell_length_a                   8.6617
_cell_length_b                   9.706
_cell_length_c                   18.601
_cell_volume                     1554.155
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Beck_ZAACAB_2003_940.cif
_cod_data_source_block           As2F12O2S1Te4
_cod_original_sg_symbol_Hall     '-P 2ybc (z,x,y)'
_cod_original_formula_sum        'As2 F12 O2 S1 Te4'
_cod_database_code               1535024
Structure and features of La2-xSr1+xCu2O6+ y
Somenkov, V.A.; Shil'shtein, S.Sh.; Glaskov, V.P.; Laskova, G.V.; Somenkova, V.P.; Irodova, A.V.; Sverkhprovodimest: Fizika, Khimiya, Tekhnika 3 (1990) 1502–1508; doi:

data_1535025
_publ_section_title
;
 Structure and features of La2-xSr1+xCu2O6+ y
;
_journal_name_full
'Sverkhprovodimest: Fizika, Khimiya, Tekhnika'
_journal_page_first              1502
_journal_page_last               1508
_journal_volume                  3
_journal_year                    1990
_chemical_formula_sum            'Cu2 La1.8 O5.86 Sr1.2'
_chemical_name_systematic        'La1.8 Sr1.2 Cu2 O5.86'
_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                   3.86
_cell_length_b                   3.86
_cell_length_c                   19.94
_cell_volume                     297.098
_citation_journal_id_ASTM        SFKTE6
_cod_data_source_file            Somenkov_SFKTE6_1990_1043.cif
_cod_data_source_block           Cu2La1.8O5.86Sr1.2
_cod_database_code               1535025
Crystal structure and vibrational spectra of tetrasodium dimagnesium dihydrogen diphosphate octahydrate Na4 Mg2 (H2 P2 O7)4 . 8(H2 O)
Harcharras, M.; D'Orazio, V.; Ennaciri, A.; Mattei, G.; Assaaoudi, H.; Moliterni, A.G.G.; Capitelli, F.; Journal of Solid State Chemistry 172 (2003) 160–165; doi:

data_1535026
_publ_section_title
;
 Crystal structure and vibrational spectra of tetrasodium dimagnesium
 dihydrogen diphosphate octahydrate Na4 Mg2 (H2 P2 O7)4 . 8(H2 O)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              160
_journal_page_last               165
_journal_volume                  172
_journal_year                    2003
_chemical_formula_sum            'H12 Mg Na2 O18 P4'
_chemical_name_systematic        'Na2 Mg (H2 P2 O7)2 (H2 O)4'
_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                 113.1401
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.0445
_cell_length_b                   11.5244
_cell_length_c                   9.0825
_cell_volume                     774.277
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Harcharras_JSSCBI_2003_725.cif
_cod_data_source_block           H24Mg2Na4O36P8
_cod_depositor_comments
;

2023-04-19
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_cell_volume        774.2775
_cod_original_formula_sum        'H24 Mg2 Na4 O36 P8'
_cod_original_formula_units_Z    1
_cod_database_code               1535026
Polytype families in zinc sulfide crystals
Mardix, S.; Alexander, E.; Brafman, O.; Steinberger, I.T.; Acta Crystallographica (1,1948-23,1967) 22 (1967) 808–812; doi:

data_2310814
_publ_section_title
;
 Polytype families in zinc sulfide crystals
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              808
_journal_page_last               812
_journal_volume                  22
_journal_year                    1967
_chemical_formula_sum            'S Zn'
_chemical_name_systematic        'Zn S'
_space_group_IT_number           160
_symmetry_space_group_name_Hall  'R 3 -2"'
_symmetry_space_group_name_H-M   'R 3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            60
_cell_length_a                   3.82
_cell_length_b                   3.82
_cell_length_c                   187.8
_cell_volume                     2373.302
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Mardix_ACCRA9_1967_381.cif
_cod_data_source_block           S1Zn1
_cod_original_formula_sum        'S1 Zn1'
_cod_database_code               2310814
Structure and features of La2-xSr1+xCu2O6+ y
Somenkov, V.A.; Shil'shtein, S.Sh.; Glaskov, V.P.; Irodova, A.V.; Somenkova, V.P.; Laskova, G.V.; Sverkhprovodimest: Fizika, Khimiya, Tekhnika 3 (1990) 1502–1508; doi:

data_1535027
_publ_section_title
;
 Structure and features of La2-xSr1+xCu2O6+ y
;
_journal_name_full
'Sverkhprovodimest: Fizika, Khimiya, Tekhnika'
_journal_page_first              1502
_journal_page_last               1508
_journal_volume                  3
_journal_year                    1990
_chemical_formula_sum            'Cu2 La1.8 O6.04 Sr1.2'
_chemical_name_systematic        'La1.8 Sr1.2 Cu2 O6.04'
_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                   3.764
_cell_length_b                   3.764
_cell_length_c                   13.17
_cell_volume                     186.589
_citation_journal_id_ASTM        SFKTE6
_cod_data_source_file            Somenkov_SFKTE6_1990_1044.cif
_cod_data_source_block           Cu2La1.8O6.04Sr1.2
_cod_original_cell_volume        186.5885
_cod_database_code               1535027
Synthesis, X-ray crystal structure and vibrational spectroscopy of the acidic pyrophosphate K Mg0.5 H2 P2 O7 * (H2 O)
Harcharras, M.; Capitelli, F.; Mattei, G.; Brouzi, K.; Moliterni, A.G.G.; Ennaciri, A.; Bertolasi, V.; Journal of Solid State Chemistry 176 (2003) 27–32; doi:

data_1535028
_publ_section_title
;
 Synthesis, X-ray crystal structure and vibrational spectroscopy of the
 acidic pyrophosphate K Mg0.5 H2 P2 O7 * (H2 O)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              27
_journal_page_last               32
_journal_volume                  176
_journal_year                    2003
_chemical_formula_sum            'H4 K Mg0.5 O8 P2'
_chemical_name_systematic        'K Mg0.5 (H2 P2 O7) (H2 O)'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                81.044
_cell_angle_beta                 72.248
_cell_angle_gamma                83.314
_cell_formula_units_Z            2
_cell_length_a                   6.8565
_cell_length_b                   7.3621
_cell_length_c                   7.6202
_cell_volume                     360.899
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Harcharras_JSSCBI_2003_883.cif
_cod_data_source_block           H4K1Mg0.5O8P2
_cod_original_cell_volume        360.8991
_cod_original_formula_sum        'H4 K1 Mg0.5 O8 P2'
_cod_database_code               1535028
Dithiolylium - Chlorooxomolybdate(V): Synthese und Kristallstruktur von (C3 Cl3 S2) (Mo O Cl4) und (C3 Cl3 S2) (Mo2 O2 Cl7)
Beck, J.; Koch, M.; Zeitschrift fuer Anorganische und Allgemeine Chemie 630 (2004) 394–398; doi:

data_1535029
_publ_section_title
;
 Dithiolylium - Chlorooxomolybdate(V): Synthese und Kristallstruktur von
 (C3 Cl3 S2) (Mo O Cl4) und (C3 Cl3 S2) (Mo2 O2 Cl7)
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              394
_journal_page_last               398
_journal_volume                  630
_journal_year                    2004
_chemical_formula_sum            'C3 Cl7 Mo O S2'
_chemical_name_systematic        '(C3 Cl3 S2) (Mo O Cl4)'
_space_group_IT_number           7
_symmetry_space_group_name_Hall  'P -2yc'
_symmetry_space_group_name_H-M   'P 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 109.128
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.1616
_cell_length_b                   10.0527
_cell_length_c                   8.4484
_cell_volume                     654.888
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Beck_ZAACAB_2004_1217.cif
_cod_data_source_block           C3Cl7Mo1O1S2
_cod_original_cell_volume        654.8884
_cod_original_formula_sum        'C3 Cl7 Mo1 O1 S2'
_cod_database_code               1535029
Polytype families in zinc sulfide crystals
Mardix, S.; Alexander, E.; Steinberger, I.T.; Brafman, O.; Acta Crystallographica (1,1948-23,1967) 22 (1967) 808–812; doi:

data_2310815
_publ_section_title
;
 Polytype families in zinc sulfide crystals
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              808
_journal_page_last               812
_journal_volume                  22
_journal_year                    1967
_chemical_formula_sum            'S Zn'
_chemical_name_systematic        'Zn S'
_space_group_IT_number           156
_symmetry_space_group_name_Hall  'P 3 -2"'
_symmetry_space_group_name_H-M   'P 3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            20
_cell_length_a                   3.82
_cell_length_b                   3.82
_cell_length_c                   62.59999
_cell_volume                     791.100
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Mardix_ACCRA9_1967_382.cif
_cod_data_source_block           S1Zn1
_cod_original_cell_volume        791.1004
_cod_original_formula_sum        'S1 Zn1'
_cod_database_code               2310815
AE (Be2 N2): Nitridoberyllates of the heavier alkaline-earth metals
Somer, M.; Schnelle, W.; Yarasik, A.; Leoni, S.; Aksel'rud, L.G.; Rosner, H.; Kniep, R.; Angew. Chem. Int. ed. 43 (2004) 1088–1092; doi:

data_1535030
_publ_section_title
;
 AE (Be2 N2): Nitridoberyllates of the heavier alkaline-earth metals
;
_journal_name_full               'Angew. Chem. Int. ed.'
_journal_page_first              1088
_journal_page_last               1092
_journal_volume                  43
_journal_year                    2004
_chemical_formula_sum            'Be4 N4 Sr2'
_chemical_name_systematic        'Sr2 (Be4 N4)'
_space_group_IT_number           140
_symmetry_space_group_name_Hall  '-I 4 2c'
_symmetry_space_group_name_H-M   'I 4/m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.62128
_cell_length_b                   5.62128
_cell_length_c                   7.5512
_cell_volume                     238.609
_citation_journal_id_ASTM        ACIEF5
_cod_data_source_file            Somer_ACIEF5_2004_1168.cif
_cod_data_source_block           Be4N4Sr2
_cod_original_cell_volume        238.6088
_cod_database_code               1535030
The nonstoichiometric ternary cerium iron sulfide Ce2 Fe1.82 S5
Harms, W.; Mills, A.M.; Wagner, F.E.; Soehnel, T.; Laubschat, C.; Geibel, C.; Hossain, Z.; Ruck, M.; Solid State Sciences 7 (2005) 59–66; doi:

data_1535031
_publ_section_title
;
 The nonstoichiometric ternary cerium iron sulfide Ce2 Fe1.82 S5
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              59
_journal_page_last               66
_journal_volume                  7
_journal_year                    2005
_chemical_formula_sum            'Ce2 Fe1.82 S5'
_space_group_IT_number           31
_symmetry_space_group_name_Hall  'P 2ac -2'
_symmetry_space_group_name_H-M   'P m n 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   3.959
_cell_length_b                   16.413
_cell_length_c                   11.2362
_cell_volume                     730.118
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Harms_SSSCFJ_2005_1416.cif
_cod_data_source_block           Ce2Fe1.82S5
_cod_original_cell_volume        730.1179
_cod_database_code               1535031
Dithiolylium - Chlorooxomolybdate(V): Synthese und Kristallstruktur von (C3 Cl3 S2) (Mo O Cl4) und (C3 Cl3 S2) (Mo2 O2 Cl7)
Beck, J.; Koch, M.; Zeitschrift fuer Anorganische und Allgemeine Chemie 630 (2004) 394–398; doi:

data_1535032
_publ_section_title
;
 Dithiolylium - Chlorooxomolybdate(V): Synthese und Kristallstruktur von
 (C3 Cl3 S2) (Mo O Cl4) und (C3 Cl3 S2) (Mo2 O2 Cl7)
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              394
_journal_page_last               398
_journal_volume                  630
_journal_year                    2004
_chemical_formula_sum            'C3 Cl10 Mo2 O2 S2'
_chemical_name_systematic        '(C3 Cl3 S2) (Mo2 O2 Cl7)'
_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                 94.921
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   11.6692
_cell_length_b                   19.1846
_cell_length_c                   16.4266
_cell_volume                     3663.850
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Beck_ZAACAB_2004_1218.cif
_cod_data_source_block           C3Cl10Mo2O2S2
_cod_original_cell_volume        3663.85
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_database_code               1535032
AE (Be2 N2): Nitridoberyllates of the heavier alkaline-earth metals
Somer, M.; Yarasik, A.; Aksel'rud, L.G.; Schnelle, W.; Leoni, S.; Rosner, H.; Kniep, R.; Angew. Chem. Int. ed. 43 (2004) 1088–1088; doi:

data_1535033
_publ_section_title
;
 AE (Be2 N2): Nitridoberyllates of the heavier alkaline-earth metals
;
_journal_name_full               'Angew. Chem. Int. ed.'
_journal_page_first              1088
_journal_page_last               1088
_journal_volume                  43
_journal_year                    2004
_chemical_formula_sum            'Be4 Ca2 N4'
_chemical_name_systematic        'Ca2 (Be4 N4)'
_space_group_IT_number           140
_symmetry_space_group_name_Hall  '-I 4 2c'
_symmetry_space_group_name_H-M   'I 4/m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.5615
_cell_length_b                   5.5615
_cell_length_c                   6.8797
_cell_volume                     212.791
_citation_journal_id_ASTM        ACIEF5
_cod_data_source_file            Somer_ACIEF5_2004_1169.cif
_cod_data_source_block           Be4Ca2N4
_cod_original_cell_volume        212.7911
_cod_database_code               1535033
Na2 Zr Se3, ein neues Chalcogenometallat(IV) mit Schichtstruktur
Harringer, N.A.; Kolb, A.; Klepp, K.O.; Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-) 56 (2001) 1322–1324; doi:

data_7222528
_publ_section_title
;
 Na2 Zr Se3, ein neues Chalcogenometallat(IV) mit Schichtstruktur
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische 
Chemie (42,1987-)
;
_journal_page_first              1322
_journal_page_last               1324
_journal_volume                  56
_journal_year                    2001
_chemical_formula_sum            'Na2 Se3 Zr'
_chemical_name_systematic        'Na2 (Zr Se3)'
_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                 108.81
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.925
_cell_length_b                   12.01
_cell_length_c                   7.257
_cell_volume                     571.325
_citation_journal_id_ASTM        ZNBSEN
_cod_data_source_file            Harringer_ZNBSEN_2001_421.cif
_cod_data_source_block           Na2Se3Zr1
_cod_original_formula_sum        'Na2 Se3 Zr1'
_cod_database_code               7222528
The cube-shaped main group element clusters (Bi4 S4)(4+) and (Bi4 Se4)(4+) - synthesis from chloroaluminate melts, crystal structures and vibrational spectra
Beck, J.; Zotov, N.; Schlueter, S.; Zeitschrift fuer Anorganische und Allgemeine Chemie 630 (2004) 2512–2519; doi:

data_1535034
_publ_section_title
;
 The cube-shaped main group element clusters (Bi4 S4)(4+) and (Bi4
 Se4)(4+) - synthesis from chloroaluminate melts, crystal structures and
 vibrational spectra
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              2512
_journal_page_last               2519
_journal_volume                  630
_journal_year                    2004
_chemical_formula_sum            'Al4 Bi4 Cl16 S4'
_chemical_name_systematic        '(Bi4 S4) (Al Cl4)4'
_space_group_IT_number           82
_symmetry_space_group_name_Hall  'I -4'
_symmetry_space_group_name_H-M   'I -4'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.816
_cell_length_b                   11.816
_cell_length_c                   11.0475
_cell_volume                     1542.428
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Beck_ZAACAB_2004_1662.cif
_cod_data_source_block           Al4Bi4Cl16S4
_cod_database_code               1535034
AE (Be2 N2): Nitridoberyllates of the heavier alkaline-earth metals
Somer, M.; Yarasik, A.; Schnelle, W.; Aksel'rud, L.G.; Rosner, H.; Leoni, S.; Kniep, R.; Angew. Chem. Int. ed. 43 (2004) 1088–1088; doi:

data_1535035
_publ_section_title
;
 AE (Be2 N2): Nitridoberyllates of the heavier alkaline-earth metals
;
_journal_name_full               'Angew. Chem. Int. ed.'
_journal_page_first              1088
_journal_page_last               1088
_journal_volume                  43
_journal_year                    2004
_chemical_formula_sum            'Be2 Mg N2'
_chemical_name_systematic        'Mg (Be2 N2)'
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   2.9553
_cell_length_b                   2.9553
_cell_length_c                   5.088
_cell_volume                     38.484
_citation_journal_id_ASTM        ACIEF5
_cod_data_source_file            Somer_ACIEF5_2004_1170.cif
_cod_data_source_block           Be2Mg1N2
_cod_original_cell_volume        38.48406
_cod_original_formula_sum        'Be2 Mg1 N2'
_cod_database_code               1535035
Crystal structures of potassium rubidium titanyl phosphate, K1.14 Rb0.86 (Ti O)2 (P O4)2 and potassium titanyl phosphate arsenate, K2 (Ti O)2 (P0.57 As0.43 O4)2
Harrison, W.T.A.; Stucky, G.D.; Phillips, M.L.F.; Zeitschrift fuer Kristallographie (149,1979-) 210 (1995) 295–297; doi:

data_8103893
_publ_section_title
;
 Crystal structures of potassium rubidium titanyl phosphate, K1.14 Rb0.86
 (Ti O)2 (P O4)2 and potassium titanyl phosphate arsenate, K2 (Ti O)2
 (P0.57 As0.43 O4)2
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              295
_journal_page_last               297
_journal_volume                  210
_journal_year                    1995
_chemical_formula_sum            'K1.14 O10 P2 Rb0.86 Ti2'
_chemical_name_systematic        'K1.14 Rb.86 (Ti O)2 (P O4)2'
_space_group_IT_number           33
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.891
_cell_length_b                   6.427
_cell_length_c                   10.488
_cell_volume                     868.936
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Harrison_ZEKRDZ_1995_1674.cif
_cod_data_source_block           K1.14O10P2Rb0.86Ti2
_cod_original_cell_volume        868.9356
_cod_database_code               8103893
The cube-shaped main group element clusters (Bi4 S4)(4+) and (Bi4 Se4)(4+) - synthesis from chloroaluminate melts, crystal structures and vibrational spectra
Beck, J.; Schlueter, S.; Zotov, N.; Zeitschrift fuer Anorganische und Allgemeine Chemie 630 (2004) 2512–2519; doi:

data_1535036
_publ_section_title
;
 The cube-shaped main group element clusters (Bi4 S4)(4+) and (Bi4
 Se4)(4+) - synthesis from chloroaluminate melts, crystal structures and
 vibrational spectra
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              2512
_journal_page_last               2519
_journal_volume                  630
_journal_year                    2004
_chemical_formula_sum            'Al4 Bi4 Cl16 Se4'
_chemical_name_systematic        '(Bi4 Se4) (Al Cl4)4'
_space_group_IT_number           82
_symmetry_space_group_name_Hall  'I -4'
_symmetry_space_group_name_H-M   'I -4'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.9932
_cell_length_b                   11.9932
_cell_length_c                   11.1864
_cell_volume                     1609.016
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Beck_ZAACAB_2004_1663.cif
_cod_data_source_block           Al4Bi4Cl16Se4
_cod_original_cell_volume        1609.017
_cod_database_code               1535036