LMucko/crystallography-open-database huggingface dataset:
Solid-state rubidium exchange of zeolite N H4 Y
Ciraolo, M.F.; Grey, C.P.; Hanson, J.C.; Microporous and Mesoporous Materials 49 (2001) 111–124; doi:

data_1525809
_publ_section_title
;
 Solid-state rubidium exchange of zeolite N H4 Y
;
_journal_name_full               'Microporous and Mesoporous Materials'
_journal_page_first              111
_journal_page_last               124
_journal_volume                  49
_journal_year                    2001
_chemical_formula_sum            'Al56.1 Na10.4 O384 Rb47.26 Si135.8'
_chemical_name_systematic        'Na10.4 Rb47.26 (Si135.8 Al56.1 O384)'
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   24.7294
_cell_length_b                   24.7294
_cell_length_c                   24.7294
_cell_volume                     15123.097
_citation_journal_id_ASTM        MIMMFJ
_cod_data_source_file            Ciraolo_MIMMFJ_2001_1775.cif
_cod_data_source_block           Al56.1Na10.4O384Rb47.26Si135.8
_cod_original_cell_volume        15123.1
_cod_database_code               1525809
Hydrothermal synthesis and characterization of two three-dimensional titanium phosphates
Liu, Y.-L.; Shi, Z.; Zhang, L.-R.; Hua, J.; Chen, J.-S.; Li, B.-Z.; Fu, Y.-L.; Pang, W.-Q.; Chemistry of Materials (1,1989-) 13 (2001) 2017–2022; doi:

data_4002317
_publ_section_title
;
 Hydrothermal synthesis and characterization of two three-dimensional
 titanium phosphates
;
_journal_name_full               'Chemistry of Materials (1,1989-)'
_journal_page_first              2017
_journal_page_last               2022
_journal_volume                  13
_journal_year                    2001
_chemical_formula_sum            'C6 H20 N2 O48 P12 Ti7'
_chemical_name_systematic        '(Ti7 (H P O4)6 (P O4)6) (C6 N2 H14)'
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   16.864
_cell_length_b                   16.864
_cell_length_c                   12.334
_cell_volume                     3037.776
_citation_journal_id_ASTM        CMATEX
_cod_data_source_file            Liu_CMATEX_2001_942.cif
_cod_data_source_block           C6H20N2O48P12Ti7
_cod_database_code               4002317
Dodecamolybdophosphoric acid circa 30-hydrate
Clark, C.J.; Hall, D.; Acta Crystallographica B (24,1968-38,1982) 32 (1976) 1545–1547; doi:

data_2106185
_publ_section_title
;
 Dodecamolybdophosphoric acid circa 30-hydrate
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1545
_journal_page_last               1547
_journal_volume                  32
_journal_year                    1976
_chemical_formula_sum            'H15 Mo12 O46 P'
_chemical_name_systematic        'H3 (P Mo12 O40) (H2 O)6'
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   23.255
_cell_length_b                   23.255
_cell_length_c                   23.255
_cell_volume                     12576.188
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Clark_ACBCAR_1976_1041.cif
_cod_data_source_block           H15Mo12O46P1
_cod_original_cell_volume        12576.19
_cod_original_formula_sum        'H15 Mo12 O46 P1'
_cod_database_code               2106185
Chemical pressure controlled colossal magnetoresistance effects in La0.6 (Sr0.4-x Cax) Mn O3
Liu, R.S.; Shen, C.H.; Hu, S.F.; International Journal of Inorganic Materials 3 (2001) 1063–1072; doi:

data_1525810
_publ_section_title
;
 Chemical pressure controlled colossal magnetoresistance effects in La0.6
 (Sr0.4-x Cax) Mn O3
;
_journal_name_full
'International Journal of Inorganic Materials'
_journal_page_first              1063
_journal_page_last               1072
_journal_volume                  3
_journal_year                    2001
_chemical_formula_sum            'Ca0.1 La0.6 Mn O3 Sr0.3'
_chemical_name_systematic        '(La0.6 Sr0.3 Ca0.1) (Mn O3)'
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   5.4923
_cell_length_b                   5.4923
_cell_length_c                   13.3427
_cell_volume                     348.564
_citation_journal_id_ASTM        IJIMCR
_cod_data_source_file            Liu_IJIMCR_2001_1048.cif
_cod_data_source_block           Ca0.1La0.6Mn1O3Sr0.3
_cod_original_cell_volume        348.5643
_cod_original_formula_sum        'Ca0.1 La0.6 Mn1 O3 Sr0.3'
_cod_database_code               1525810
Hexagonal approximants of a dodecagonal tantalum telluride the crystal structure of Ta21 Te13
Conrad, M.; Krumeich, F.; Reich, C.; Harbrecht, B.; Materials Science and Engineering A 294 (2000) 37–40; doi:

data_1525811
_publ_section_title
;
 Hexagonal approximants of a dodecagonal tantalum telluride the crystal
 structure of Ta21 Te13
;
_journal_name_full               'Materials Science and Engineering A'
_journal_page_first              37
_journal_page_last               40
_journal_volume                  294
_journal_year                    2000
_chemical_formula_sum            'Ta21 Te13'
_space_group_IT_number           183
_symmetry_space_group_name_Hall  'P 6 -2'
_symmetry_space_group_name_H-M   'P 6 m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            4
_cell_length_a                   19.5
_cell_length_b                   19.5
_cell_length_c                   10.3
_cell_volume                     3391.853
_citation_journal_id_ASTM        MSAPE3
_cod_data_source_file            Conrad_MSAPE3_2000_338.cif
_cod_data_source_block           Ta21Te13
_cod_original_cell_volume        3391.854
_cod_database_code               1525811
Chemical pressure controlled colossal magnetoresistance effects in La0.6 (Sr0.4-x Cax) Mn O3
Liu, R.S.; Shen, C.H.; Hu, S.F.; International Journal of Inorganic Materials 3 (2001) 1063–1072; doi:

data_1525812
_publ_section_title
;
 Chemical pressure controlled colossal magnetoresistance effects in La0.6
 (Sr0.4-x Cax) Mn O3
;
_journal_name_full
'International Journal of Inorganic Materials'
_journal_page_first              1063
_journal_page_last               1072
_journal_volume                  3
_journal_year                    2001
_chemical_formula_sum            'Ca0.2 La0.6 Mn O3 Sr0.2'
_chemical_name_systematic        '(La0.6 Sr0.2 Ca0.2) (Mn O3)'
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   5.4854
_cell_length_b                   5.4854
_cell_length_c                   13.3094
_cell_volume                     346.821
_citation_journal_id_ASTM        IJIMCR
_cod_data_source_file            Liu_IJIMCR_2001_1050.cif
_cod_data_source_block           Ca0.2La0.6Mn1O3Sr0.2
_cod_original_cell_volume        346.8213
_cod_original_formula_sum        'Ca0.2 La0.6 Mn1 O3 Sr0.2'
_cod_database_code               1525812
(O H)-F disorder in non-centrosymmetric Zn2 (B O3) (O H)0.75 F0.25: ab initio structure determination and NMR study: comparison with tridymite and fluoride borates
Corbel, G.; Suard, E.; Emery, J.; Leblanc, M.; Journal of Alloys Compd. 315 (2001) 287–295; doi:

data_1525813
_publ_section_title
;
 (O H)-F disorder in non-centrosymmetric Zn2 (B O3) (O H)0.75 F0.25: ab
 initio structure determination and NMR study: comparison with tridymite
 and fluoride borates
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              287
_journal_page_last               295
_journal_volume                  315
_journal_year                    2001
_chemical_formula_sum            'B F0.25 H0.75 O3.75 Zn2'
_chemical_name_systematic        'Zn2 (B O3) (O H)0.75 F0.25'
_space_group_IT_number           4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 98.829
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.8738
_cell_length_b                   4.9178
_cell_length_c                   5.7018
_cell_volume                     190.460
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Corbel_JALCEU_2001_1151.cif
_cod_data_source_block           H0.75B1F0.25O3.75Zn2
_cod_original_cell_volume        190.4596
_cod_original_formula_sum        'H0.75 B1 F0.25 O3.75 Zn2'
_cod_database_code               1525813
Chemical pressure controlled colossal magnetoresistance effects in La0.6 (Sr0.4-x Cax) Mn O3
Liu, R.S.; Hu, S.F.; Shen, C.H.; International Journal of Inorganic Materials 3 (2001) 1063–1072; doi:

data_1525814
_publ_section_title
;
 Chemical pressure controlled colossal magnetoresistance effects in La0.6
 (Sr0.4-x Cax) Mn O3
;
_journal_name_full
'International Journal of Inorganic Materials'
_journal_page_first              1063
_journal_page_last               1072
_journal_volume                  3
_journal_year                    2001
_chemical_formula_sum            'Ca0.3 La0.6 Mn O3 Sr0.1'
_chemical_name_systematic        '(La0.6 Sr0.1 Ca0.3) (Mn O3)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.4527
_cell_length_b                   5.4814
_cell_length_c                   7.6976
_cell_volume                     230.069
_citation_journal_id_ASTM        IJIMCR
_cod_data_source_file            Liu_IJIMCR_2001_1051.cif
_cod_data_source_block           Ca0.3La0.6Mn1O3Sr0.1
_cod_original_cell_volume        230.0692
_cod_original_sg_symbol_Hall     '-P 2ac 2n (z,x,y)'
_cod_original_formula_sum        'Ca0.3 La0.6 Mn1 O3 Sr0.1'
_cod_database_code               1525814
Structural influence of fluorine ligand in niobium cluster chemistry : crystal structures of K Nb6 Cl10 F5 and Cs Nb6 Cl8 F7
Cordier, S.; Perrin, C.; Hernandez, O.; Journal of Fluorine Chemistry 107 (2001) 205–214; doi:

data_1525815
_publ_section_title
;
 Structural influence of fluorine ligand in niobium cluster chemistry :
 crystal structures of K Nb6 Cl10 F5 and Cs Nb6 Cl8 F7
;
_journal_name_full               'Journal of Fluorine Chemistry'
_journal_page_first              205
_journal_page_last               214
_journal_volume                  107
_journal_year                    2001
_chemical_formula_sum            'Cl9.96 F5.04 K1.158 Nb6'
_chemical_name_systematic        'K1.158 Nb6 (Cl7.68 F4.32) Cl2.28 F0.72'
_space_group_IT_number           230
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   19.589
_cell_length_b                   19.589
_cell_length_c                   19.589
_cell_volume                     7516.866
_citation_journal_id_ASTM        JFLCAR
_cod_data_source_file            Cordier_JFLCAR_2001_1379.cif
_cod_data_source_block           Cl9.96F5.04K1.158Nb6
_cod_original_cell_volume        7516.867
_cod_database_code               1525815
Chemical pressure controlled colossal magnetoresistance effects in La0.6 (Sr0.4-x Cax) Mn O3
Liu, R.S.; Shen, C.H.; Hu, S.F.; International Journal of Inorganic Materials 3 (2001) 1063–1072; doi:

data_1525816
_publ_section_title
;
 Chemical pressure controlled colossal magnetoresistance effects in La0.6
 (Sr0.4-x Cax) Mn O3
;
_journal_name_full
'International Journal of Inorganic Materials'
_journal_page_first              1063
_journal_page_last               1072
_journal_volume                  3
_journal_year                    2001
_chemical_formula_sum            'Ca0.4 La0.6 Mn O3'
_chemical_name_systematic        '(La0.6 Ca0.4) (Mn O3)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.4508
_cell_length_b                   5.4659
_cell_length_c                   7.6985
_cell_volume                     229.365
_citation_journal_id_ASTM        IJIMCR
_cod_data_source_file            Liu_IJIMCR_2001_1052.cif
_cod_data_source_block           Ca0.4La0.6Mn1O3
_cod_original_cell_volume        229.3655
_cod_original_sg_symbol_Hall     '-P 2ac 2n (z,x,y)'
_cod_original_formula_sum        'Ca0.4 La0.6 Mn1 O3'
_cod_database_code               1525816
Structural influence of fluorine ligand in niobium cluster chemistry : crystal structures of K Nb6 Cl10 F5 and Cs Nb6 Cl8 F7
Cordier, S.; Hernandez, O.; Perrin, C.; Journal of Fluorine Chemistry 107 (2001) 205–214; doi:

data_1525817
_publ_section_title
;
 Structural influence of fluorine ligand in niobium cluster chemistry :
 crystal structures of K Nb6 Cl10 F5 and Cs Nb6 Cl8 F7
;
_journal_name_full               'Journal of Fluorine Chemistry'
_journal_page_first              205
_journal_page_last               214
_journal_volume                  107
_journal_year                    2001
_chemical_formula_sum            'Cl8.01 Cs1.28 F6.97 Nb6'
_chemical_name_systematic        'Cs1.28 Nb6 (Cl8.01 F3.97) F3'
_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                   8.2743
_cell_length_b                   8.2743
_cell_length_c                   8.2743
_cell_volume                     566.492
_citation_journal_id_ASTM        JFLCAR
_cod_data_source_file            Cordier_JFLCAR_2001_1380.cif
_cod_data_source_block           Cl8.01Cs1.28F6.97Nb6
_cod_original_cell_volume        566.4919
_cod_database_code               1525817
The first zeolite with three-dimensional intersecting straight-channel system of 12-membered rings
Liu, Z.; Diaz-Cabanas, M.J.; Ohsuna, T.; Terasaki, O.; Hiraga, K.; Camblor, M.A.; Journal of the American Chemical Society 123 (2001) 5370–5371; doi:

data_4123959
_publ_section_title
;
 The first zeolite with three-dimensional intersecting straight-channel
 system of 12-membered rings
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              5370
_journal_page_last               5371
_journal_volume                  123
_journal_year                    2001
_chemical_formula_sum            'O64 Si32'
_chemical_name_systematic        '(Si O2)32'
_space_group_IT_number           131
_symmetry_space_group_name_Hall  '-P 4c 2'
_symmetry_space_group_name_H-M   'P 42/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   13.1
_cell_length_b                   13.1
_cell_length_c                   13.8
_cell_volume                     2368.218
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Liu_JACSAT_2001_1113.cif
_cod_data_source_block           O64Si32
_cod_database_code               4123959
Syntheses and crystal structures of the first bromofluorides in niobium cluster chemistry: Nb6 Br8 F7 and Na2 Nb F6 - (Nb6 Br4 F11)
Cordier, S.; Perrin, C.; Hernandez, O.; Journal of Solid State Chemistry 158 (2001) 327–333; doi:

data_1525818
_publ_section_title
;
 Syntheses and crystal structures of the first bromofluorides in niobium
 cluster chemistry: Nb6 Br8 F7 and Na2 Nb F6 - (Nb6 Br4 F11)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              327
_journal_page_last               333
_journal_volume                  158
_journal_year                    2001
_chemical_formula_sum            'Br8.322 F6.678 Nb6'
_chemical_name_systematic        'Nb6 Br8.322 F6.678'
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   9.6373
_cell_length_b                   9.6373
_cell_length_c                   35.415
_cell_volume                     2848.581
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Cordier_JSSCBI_2001_1563.cif
_cod_data_source_block           Br8.322F6.678Nb6
_cod_database_code               1525818
Molecular dynamics simulation of structural phase transitions in Rb N O3 and Cs N O3
Liu, J.; Mei, W.N.; Ossowski, M.M.; Duan, C.-G.; Smith, R.W.; Hardy, J.R.; Journal of Solid State Chemistry 160 (2001) 222–229; doi:

data_1525819
_publ_section_title
;
 Molecular dynamics simulation of structural phase transitions in Rb N O3
 and Cs N O3
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              222
_journal_page_last               229
_journal_volume                  160
_journal_year                    2001
_chemical_formula_sum            'N O3 Rb'
_chemical_name_systematic        'Rb (N O3)'
_space_group_IT_number           144
_symmetry_space_group_name_Hall  'P 31'
_symmetry_space_group_name_H-M   'P 31'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            9
_cell_length_a                   10.067
_cell_length_b                   10.067
_cell_length_c                   7.053
_cell_volume                     619.020
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Liu_JSSCBI_2001_1620.cif
_cod_data_source_block           N1O3Rb1
_cod_original_cell_volume        619.02
_cod_original_formula_sum        'N1 O3 Rb1'
_cod_database_code               1525819
Syntheses and crystal structures of the first bromofluorides in niobium cluster chemistry: Nb6 Br8 F7 and Na2 Nb F6 - (Nb6 Br4 F11)
Cordier, S.; Hernandez, O.; Perrin, C.; Journal of Solid State Chemistry 158 (2001) 327–333; doi:

data_1525820
_publ_section_title
;
 Syntheses and crystal structures of the first bromofluorides in niobium
 cluster chemistry: Nb6 Br8 F7 and Na2 Nb F6 - (Nb6 Br4 F11)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              327
_journal_page_last               333
_journal_volume                  158
_journal_year                    2001
_chemical_formula_sum            'Br3.65 F17.35 Na1.87 Nb7'
_chemical_name_systematic        '(Na1.87 Nb F6) (Nb6 Br3.65 F8.35) F3'
_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                   8.1765
_cell_length_b                   8.1765
_cell_length_c                   8.1765
_cell_volume                     546.641
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Cordier_JSSCBI_2001_1564.cif
_cod_data_source_block           Br3.65F17.35Na1.87Nb7
_cod_original_cell_volume        546.6412
_cod_database_code               1525820
Molecular dynamics simulation of structural phase transitions in RbN O3 and Cs N O3
Liu, J.; Hardy, J. R.; Duan, C.-G.; Mei, W. N.; Smith, R. W.; Ossowski, M. M.; Journal of Solid State Chemistry 160 (2001) 222–229; doi:10.1006/jssc.2001.9226

data_1525821
_publ_section_title
;
 Molecular dynamics simulation of structural phase transitions in RbN O3
 and Cs N O3
;
_journal_issue                   1
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              222
_journal_page_last               229
_journal_paper_doi               10.1006/jssc.2001.9226
_journal_volume                  160
_journal_year                    2001
_chemical_formula_sum            'Cs N O3'
_chemical_name_systematic        'Cs (N O3)'
_space_group_crystal_system      trigonal
_space_group_IT_number           144
_space_group_name_Hall           'P 31'
_space_group_name_H-M_alt        'P 31'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            9
_cell_length_a                   10.492
_cell_length_b                   10.492
_cell_length_c                   7.389
_cell_volume                     704.422
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Liu_JSSCBI_2001_1621.cif
_cod_data_source_block           Cs1N1O3
_cod_original_cell_volume        704.4219
_cod_original_formula_sum        'Cs1 N1 O3'
_cod_database_code               1525821
Synthese, Kristallstruktur und Eigenschaften von Tetranatrium-bis (trimetaphosphimato) cuprat(II) decahydrat, Na4 (Cu ((P O2 N H)3)2) . 10(H2 O)
Correll, S.; Schnick, W.; Zeitschrift fuer Anorganische und Allgemeine Chemie 626 (2000) 2347–2352; doi:

data_1525822
_publ_section_title
;
 Synthese, Kristallstruktur und Eigenschaften von Tetranatrium-bis
 (trimetaphosphimato) cuprat(II) decahydrat, Na4 (Cu ((P O2 N H)3)2) .
 10(H2 O)
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              2347
_journal_page_last               2352
_journal_volume                  626
_journal_year                    2000
_chemical_formula_sum            'Cu H26 N6 Na4 O22 P6'
_chemical_name_systematic        'Na4 (Cu ((P O2 N H)3)2) (H2 O)10'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                94.84
_cell_angle_beta                 108.652
_cell_angle_gamma                118.588
_cell_formula_units_Z            1
_cell_length_a                   9.1251
_cell_length_b                   9.3214
_cell_length_c                   9.661
_cell_volume                     655.242
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Correll_ZAACAB_2000_785.cif
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