LMucko/crystallography-open-database huggingface dataset:
A structure and phase analysis investigation of the 1:1 ordered A2 In Nb O6 perovskites (A = Ca(2+), Sr(2+), Ba(2+))
Ting, V.; Liu, Y.; Noren, L.; Withers, R.L.; James, M.; Fitz Gerald, J.D.; Journal of Solid State Chemistry 179 (2006) 551–562; doi:

data_1528928
_publ_section_title
;
 A structure and phase analysis investigation of the 1:1 ordered A2 In Nb
 O6 perovskites (A = Ca(2+), Sr(2+), Ba(2+))
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              551
_journal_page_last               562
_journal_volume                  179
_journal_year                    2006
_chemical_formula_sum            'In Nb O6 Sr2'
_chemical_name_systematic        'Sr2 In Nb O6'
_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                 89.995
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.7351
_cell_length_b                   5.7416
_cell_length_c                   8.1102
_cell_volume                     267.058
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Ting_JSSCBI_2006_928.cif
_cod_data_source_block           In1Nb1O6Sr2
_cod_original_cell_volume        267.0579
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_original_formula_sum        'In1 Nb1 O6 Sr2'
_cod_database_code               1528928
A structure and phase analysis investigation of the 1:1 ordered A2 In Nb O6 perovskites (A = Ca(2+), Sr(2+), Ba(2+))
Ting, V.; Liu, Y.; Withers, R.L.; Noren, L.; Fitz Gerald, J.D.; James, M.; Journal of Solid State Chemistry 179 (2006) 551–562; doi:

data_1528929
_publ_section_title
;
 A structure and phase analysis investigation of the 1:1 ordered A2 In Nb
 O6 perovskites (A = Ca(2+), Sr(2+), Ba(2+))
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              551
_journal_page_last               562
_journal_volume                  179
_journal_year                    2006
_chemical_formula_sum            'Ca2.08 In0.88 Nb1.04 O6'
_chemical_name_systematic        'Ca2 ((Ca0.08 In0.88 Nb0.04) Nb) O6'
_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                 89.9243
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.5292
_cell_length_b                   5.7068
_cell_length_c                   7.9216
_cell_volume                     249.958
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Ting_JSSCBI_2006_929.cif
_cod_data_source_block           Ca2.08In0.88Nb1.04O6
_cod_original_cell_volume        249.9583
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_database_code               1528929
A structure and phase analysis investigation of the 1:1 ordered A2 In Nb O6 perovskites (A = Ca(2+), Sr(2+), Ba(2+))
Ting, V.; Liu, Y.; Fitz Gerald, J.D.; Withers, R.L.; Noren, L.; James, M.; Journal of Solid State Chemistry 179 (2006) 551–562; doi:

data_1528930
_publ_section_title
;
 A structure and phase analysis investigation of the 1:1 ordered A2 In Nb
 O6 perovskites (A = Ca(2+), Sr(2+), Ba(2+))
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              551
_journal_page_last               562
_journal_volume                  179
_journal_year                    2006
_chemical_formula_sum            'Ca2.5 In0.25 Nb1.25 O6'
_chemical_name_systematic        'Ca2 ((Ca0.5 In0.25 Nb0.25) Nb) O6'
_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                 89.958
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.5477
_cell_length_b                   5.747
_cell_length_c                   7.9714
_cell_volume                     254.149
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Ting_JSSCBI_2006_930.cif
_cod_data_source_block           Ca2.5In0.25Nb1.25O6
_cod_original_cell_volume        254.1491
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_database_code               1528930
In search of benzene-like Sn6(6-): synthesis of Na4 Ca Sn6 with interconnected cyclohexane-like Sn6(6-)
Todorov, I.; Sevov, S.C.; Inorganic Chemistry 45 (2006) 4478–4483; doi:

data_4343931
_publ_section_title
;
 In search of benzene-like Sn6(6-): synthesis of Na4 Ca Sn6 with
 interconnected cyclohexane-like Sn6(6-)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4478
_journal_page_last               4483
_journal_volume                  45
_journal_year                    2006
_chemical_formula_sum            'Ca Na4 Sn6'
_chemical_name_systematic        'Na4 Ca Sn6'
_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                   10.0486
_cell_length_b                   10.0486
_cell_length_c                   7.1375
_cell_volume                     624.148
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Todorov_INOCAJ_2006_942.cif
_cod_data_source_block           Ca1Na4Sn6
_cod_original_cell_volume        624.1484
_cod_original_formula_sum        'Ca1 Na4 Sn6'
_cod_database_code               4343931
In search of benzene-like Sn6(6-): synthesis of Na4 Ca Sn6 with interconnected cyclohexane-like Sn6(6-)
Todorov, I.; Sevov, S.C.; Inorganic Chemistry 45 (2006) 4478–4483; doi:

data_4343932
_publ_section_title
;
 In search of benzene-like Sn6(6-): synthesis of Na4 Ca Sn6 with
 interconnected cyclohexane-like Sn6(6-)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4478
_journal_page_last               4483
_journal_volume                  45
_journal_year                    2006
_chemical_formula_sum            'Eu Na10 Sn12'
_chemical_name_systematic        'Na10 Eu Sn12'
_space_group_IT_number           217
_symmetry_space_group_name_Hall  'I -4 2 3'
_symmetry_space_group_name_H-M   'I -4 3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.2189
_cell_length_b                   11.2189
_cell_length_c                   11.2189
_cell_volume                     1412.052
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Todorov_INOCAJ_2006_943.cif
_cod_data_source_block           Eu1Na10Sn12
_cod_original_formula_sum        'Eu1 Na10 Sn12'
_cod_database_code               4343932
In search of benzene-like Sn6(6-): synthesis of Na4 Ca Sn6 with interconnected cyclohexane-like Sn6(6-)
Todorov, I.; Sevov, S.C.; Inorganic Chemistry 45 (2006) 4478–4483; doi:

data_4343933
_publ_section_title
;
 In search of benzene-like Sn6(6-): synthesis of Na4 Ca Sn6 with
 interconnected cyclohexane-like Sn6(6-)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4478
_journal_page_last               4483
_journal_volume                  45
_journal_year                    2006
_chemical_formula_sum            'Na10 Sn12 Yb'
_chemical_name_systematic        'Na10 Yb Sn12'
_space_group_IT_number           217
_symmetry_space_group_name_Hall  'I -4 2 3'
_symmetry_space_group_name_H-M   'I -4 3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.1768
_cell_length_b                   11.1768
_cell_length_c                   11.1768
_cell_volume                     1396.215
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Todorov_INOCAJ_2006_944.cif
_cod_data_source_block           Na10Sn12Yb1
_cod_original_formula_sum        'Na10 Sn12 Yb1'
_cod_database_code               4343933
Characterization and ab Initio XRPD Structure Determination of a Novel Silicate with Vierer Single Chains: The Crystal Structure of NaYSi2O6
Többens, Daniel M.; Kahlenberg, Volker; Kaindl, Reinhard; Inorganic Chemistry 44 (2005) 9554–9560; doi:10.1021/ic051401o

data_4343934
_publ_section_title
;
 Characterization and ab Initio XRPD Structure Determination of a Novel
 Silicate with Vierer Single Chains: The Crystal Structure of NaYSi2O6
;
_journal_coden_ASTM              INOCAJ
_journal_issue                   25
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              9554
_journal_page_last               9560
_journal_paper_doi               10.1021/ic051401o
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'Na O6 Si2 Y'
_chemical_name_systematic        'Na Y Si2 O6'
_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                 109.914
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.40789
_cell_length_b                   13.69782
_cell_length_c                   7.58431
_cell_volume                     528.224
_cod_data_source_file            Toebbens_INOCAJ_2005_660.cif
_cod_data_source_block           Na1O6Si2Y1
_cod_original_cell_volume        528.2237
_cod_original_formula_sum        'Na1 O6 Si2 Y1'
_cod_database_code               4343934
New representatives of the linear structure series containing empty Ga/Ge cubes in the Sm-Ga-Ge system
Tokaychuk, Y.O.; Filinchuk, Y.E.; Fedorchuk, A.O.; Kozlov, A.Yu.; Mokra, I.R.; Journal of Solid State Chemistry 179 (2006) 1323–1329; doi:

data_1528931
_publ_section_title
;
 New representatives of the linear structure series containing empty Ga/Ge
 cubes in the Sm-Ga-Ge system
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1323
_journal_page_last               1329
_journal_volume                  179
_journal_year                    2006
_chemical_formula_sum            'Ga5.24 Ge5.76 Sm4'
_chemical_name_systematic        'Sm4 Ga5.24 Ge5.76'
_space_group_IT_number           65
_symmetry_space_group_name_Hall  '-C 2 2'
_symmetry_space_group_name_H-M   'C m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.21038
_cell_length_b                   35.8075
_cell_length_c                   4.14023
_cell_volume                     624.194
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Tokaychuk_JSSCBI_2006_950.cif
_cod_data_source_block           Ga5.24Ge5.76Sm4
_cod_original_cell_volume        624.1943
_cod_database_code               1528931
Pr Co2 Al8 and Pr2 Co6 Al19: Crystal structure and electronic properties
Tougait, O.; Kaczorowski, D.; Noel, H.; Journal of Solid State Chemistry 178 (2005) 3639–3647; doi:

data_1528932
_publ_section_title
;
 Pr Co2 Al8 and Pr2 Co6 Al19: Crystal structure and electronic properties
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              3639
_journal_page_last               3647
_journal_volume                  178
_journal_year                    2005
_chemical_formula_sum            'Al18.94 Co6 Pr2'
_chemical_name_systematic        'Pr2 Co6 Al18.94'
_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                 103.903
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.6031
_cell_length_b                   12.1052
_cell_length_c                   8.2399
_cell_volume                     1704.393
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Tougait_JSSCBI_2005_706.cif
_cod_data_source_block           Al18.94Co6Pr2
_cod_database_code               1528932
Molybdenum Diselenide: Rhombohedral High Pressure - High Temperature Polymorph
Towle, L.C.; Oberbeck, V.; Stajdohar, R.E.; Brown, B.E.; Science 154 (1966) 895–896; doi:

data_1528933
_publ_section_title
;
 Molybdenum Diselenide: Rhombohedral High Pressure - High Temperature
 Polymorph
;
_journal_name_full               Science
_journal_page_first              895
_journal_page_last               896
_journal_volume                  154
_journal_year                    1966
_chemical_formula_sum            'Mo Se2'
_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            3
_cell_length_a                   3.292
_cell_length_b                   3.292
_cell_length_c                   19.392
_cell_volume                     182.001
_citation_journal_id_ASTM        SCIEAS
_cod_data_source_file            Towle_SCIEAS_1966_382.cif
_cod_data_source_block           Mo1Se2
_cod_original_cell_volume        182.0006
_cod_original_formula_sum        'Mo1 Se2'
_cod_database_code               1528933
Antiferromagnetic ordering with an anisotropy reversal in U Sn0.5 Sb1.5
Tran, V.H.; Bukowski, Z.; Stepien-Damm, Yu.; Troc, R.; Journal of Solid State Chemistry 179 (2006) 1401–1406; doi:

data_1528934
_publ_section_title
;
 Antiferromagnetic ordering with an anisotropy reversal in U Sn0.5 Sb1.5
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1401
_journal_page_last               1406
_journal_volume                  179
_journal_year                    2006
_chemical_formula_sum            'Sb1.48 Sn0.52 U'
_chemical_name_systematic        'U Sn0.52 Sb1.48'
_space_group_IT_number           129
_symmetry_space_group_name_Hall  '-P 4a 2a'
_symmetry_space_group_name_H-M   'P 4/n m m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.279
_cell_length_b                   4.279
_cell_length_c                   8.737
_cell_volume                     159.973
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Tran_JSSCBI_2006_954.cif
_cod_data_source_block           Sb1.48Sn0.52U1
_cod_original_cell_volume        159.9731
_cod_original_formula_sum        'Sb1.48 Sn0.52 U1'
_cod_database_code               1528934
Untersuchungen an hexagonalen 6L-Perowskiten Ba2 B Os O6 mit B = Co, Ni
Treiber, U.; Kemmler-Sack, S.; Zeitschrift fuer Anorganische und Allgemeine Chemie 470 (1980) 95–102; doi:

data_1528935
_publ_section_title
;
 Untersuchungen an hexagonalen 6L-Perowskiten Ba2 B Os O6 mit B = Co, Ni
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              95
_journal_page_last               102
_journal_volume                  470
_journal_year                    1980
_chemical_formula_sum            'Ba2 Ni O6 Os'
_chemical_name_systematic        'Ba2 Ni Os O6'
_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            3
_cell_length_a                   5.735
_cell_length_b                   5.735
_cell_length_c                   14.076
_cell_volume                     400.938
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Treiber_ZAACAB_1980_39.cif
_cod_data_source_block           Ba2Ni1O6Os1
_cod_original_cell_volume        400.9376
_cod_original_formula_sum        'Ba2 Ni1 O6 Os1'
_cod_database_code               1528935
Strukturuntersuchengen an Ba2 Zr0.75 Sb O6
Treiber, U.; Kemmler-Sack, S.; Zeitschrift fuer Anorganische und Allgemeine Chemie 470 (1980) 103–108; doi:

data_1528936
_publ_section_title
;
 Strukturuntersuchengen an Ba2 Zr0.75 Sb O6
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              103
_journal_page_last               108
_journal_volume                  470
_journal_year                    1980
_chemical_formula_sum            'Ba2 O6 Sb Zr0.75'
_chemical_name_systematic        'Ba2 Zr0.75 Sb O6'
_space_group_IT_number           123
_symmetry_space_group_name_Hall  '-P 4 2'
_symmetry_space_group_name_H-M   'P 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   11.685
_cell_length_b                   11.685
_cell_length_c                   16.606
_cell_volume                     2267.370
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Treiber_ZAACAB_1980_40.cif
_cod_data_source_block           Ba2O6Sb1Zr0.75
_cod_original_cell_volume        2267.371
_cod_original_formula_sum        'Ba2 O6 Sb1 Zr0.75'
_cod_database_code               1528936
Zur Struktur der Verbindungen vom Sr2 Pb O4-Typ
Troemel, M.; Naturwissenschaften 52 (1965) 492–493; doi:

data_1528937
_publ_section_title
;
 Zur Struktur der Verbindungen vom Sr2 Pb O4-Typ
;
_journal_name_full               Naturwissenschaften
_journal_page_first              492
_journal_page_last               493
_journal_volume                  52
_journal_year                    1965
_chemical_formula_sum            'O4 Pb Sr2'
_chemical_name_systematic        'Sr2 (Pb O4)'
_space_group_IT_number           55
_symmetry_space_group_name_Hall  '-P 2 2ab'
_symmetry_space_group_name_H-M   'P b a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.155
_cell_length_b                   10.06
_cell_length_c                   3.498
_cell_volume                     216.594
_citation_journal_id_ASTM        NATWAY
_cod_data_source_file            Troemel_NATWAY_1965_301.cif
_cod_data_source_block           O4Pb1Sr2
_cod_original_cell_volume        216.5937
_cod_original_formula_sum        'O4 Pb1 Sr2'
_cod_database_code               1528937
The crystal structure of germanium difluoride
Trotter, J.; Akhtar, M.; Barlett, N.; Journal of the Chemical Society A: Inorganic, Physical, Theoretical (1966-1971) 1966 (1966) 30–33; doi:

data_1528938
_publ_section_title
;
 The crystal structure of germanium difluoride
;
_journal_name_full
;
Journal of the Chemical Society A: Inorganic, Physical, Theoretical (1966-1971)
;
_journal_page_first              30
_journal_page_last               33
_journal_volume                  1966
_journal_year                    1966
_chemical_formula_sum            'F2 Ge'
_chemical_name_systematic        'Ge F2'
_space_group_IT_number           19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.682
_cell_length_b                   5.158
_cell_length_c                   8.312
_cell_volume                     200.733
_citation_journal_id_ASTM        JCSIAP
_cod_data_source_file            Trotter_JCSIAP_1966_1787.cif
_cod_data_source_block           F2Ge1
_cod_original_cell_volume        200.7328
_cod_original_formula_sum        'F2 Ge1'
_cod_database_code               1528938
The Structures of Cesium and Rubidium Difluorophosphates
Trotter, J.; Withlow, S.H.; Journal of the Chemical Society A: Inorganic, Physical, Theoretical (1966-1971) 1967 (1967) 1383–1386; doi:

data_1528939
_publ_section_title
;
 The Structures of Cesium and Rubidium Difluorophosphates
;
_journal_name_full
;
Journal of the Chemical Society A: Inorganic, Physical, Theoretical (1966-1971)
;
_journal_page_first              1383
_journal_page_last               1386
_journal_volume                  1967
_journal_year                    1967
_chemical_formula_sum            'Cs F2 O2 P'
_chemical_name_systematic        'Cs P O2 F2'
_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                   8.437
_cell_length_b                   6.796
_cell_length_c                   8.06
_cell_volume                     462.143
_citation_journal_id_ASTM        JCSIAP
_cod_data_source_file            Trotter_JCSIAP_1967_337.cif
_cod_data_source_block           Cs1F2O2P1
_cod_original_cell_volume        462.1431
_cod_original_formula_sum        'Cs1 F2 O2 P1'
_cod_database_code               1528939
Synthesis and structure of fullerene halides in the C60-(Ti Cl4 + Br2) system: molecular structures of (C60 Cl5)2, C60 X6, C60 X8, and C60 X24 (X = Cl, Br)
Troyanov, S.I.; Burtsev, A.V.; Kemnitz, E.; Kristallografiya 54 (2009) 268–275; doi:

data_1528940
_publ_section_title
;
 Synthesis and structure of fullerene halides in the C60-(Ti Cl4 + Br2)
 system: molecular structures of (C60 Cl5)2, C60 X6, C60 X8, and C60 X24
 (X = Cl, Br)
;
_journal_name_full               Kristallografiya
_journal_page_first              268
_journal_page_last               275
_journal_volume                  54
_journal_year                    2009
_chemical_formula_sum            'C180 Br1.18 Cl16'
_chemical_name_systematic        '(C60 Cl5)2 (C60 Cl6) (Br2)0.59'
_space_group_IT_number           64
_symmetry_space_group_name_Hall  '-C 2ac 2'
_symmetry_space_group_name_H-M   'C m c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   19.7711
_cell_length_b                   33.8821
_cell_length_c                   29.8685
_cell_volume                     20008.502
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Troyanov_KRISAJ_2009_1707.cif
_cod_data_source_block           C180Br1.18Cl16
_cod_original_cell_volume        20008.5
_cod_database_code               1528940
Synthesis and structure of fullerene halides in the C60-(Ti Cl4 + Br2) system: molecular structures of (C60 Cl5)2, C60 X6, C60 X8, and C60 X24 (X = Cl, Br)
Troyanov, S.I.; Burtsev, A.V.; Kemnitz, E.; Kristallografiya 54 (2009) 268–275; doi:

data_1528941
_publ_section_title
;
 Synthesis and structure of fullerene halides in the C60-(Ti Cl4 + Br2)
 system: molecular structures of (C60 Cl5)2, C60 X6, C60 X8, and C60 X24
 (X = Cl, Br)
;
_journal_name_full               Kristallografiya
_journal_page_first              268
_journal_page_last               275
_journal_volume                  54
_journal_year                    2009
_chemical_formula_sum            'C60 Cl6'
_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            16
_cell_length_a                   17.1965
_cell_length_b                   39.918
_cell_length_c                   19.5617
_cell_volume                     13428.127
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Troyanov_KRISAJ_2009_1708.cif
_cod_data_source_block           C60Cl6
_cod_original_cell_volume        13428.13
_cod_database_code               1528941