LMucko/crystallography-open-database huggingface dataset:
Dehydration mechanism in brewsterite: single-crystal X-ray diffraction study
Sacerdoti, M.; Quartieri, S.; Vezzalini, G.; Microporous and Mesoporous Materials 41 (2000) 107–118; doi:

data_1526428
_publ_section_title
;
 Dehydration mechanism in brewsterite: single-crystal X-ray diffraction
 study
;
_journal_name_full               'Microporous and Mesoporous Materials'
_journal_page_first              107
_journal_page_last               118
_journal_volume                  41
_journal_year                    2000
_chemical_formula_sum            'Al4 Ba0.51 H6.24 O35.12 Si12 Sr1.49'
_chemical_name_systematic        '(Ba0.51 Sr1.49) (Al4 Si12 O32) (H2 O)3.12'
_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                 94.6
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   6.804
_cell_length_b                   17.285
_cell_length_c                   7.645
_cell_volume                     896.210
_citation_journal_id_ASTM        MIMMFJ
_cod_data_source_file            Sacerdoti_MIMMFJ_2000_261.cif
_cod_data_source_block           H6.24Al4Ba0.51O35.12Si12Sr1.49
_cod_original_cell_volume        896.2104
_cod_original_formula_sum        'H6.24 Al4 Ba0.51 O35.12 Si12 Sr1.49'
_cod_database_code               1526428
A2 Bi8 Se13 (A= Rb, Cs), Cs Bi3.67 Se6 and Ba Bi2 Se4: new ternary semiconducting bismuth selenides
Iordanidis, L.; Kyratsi, T.; Brazis, P.W.; Ireland, J.; Ghelani, N.; Kannewurf, C.R.; Lane, M.; Chen, W.; Uher, C.; Kanatzidis, M.G.; Hogan, T.; Dyck, J.S.; Chemistry of Materials (1,1989-) 13 (2001) 622–633; doi:

data_4002337
_publ_section_title
;
 A2 Bi8 Se13 (A= Rb, Cs), Cs Bi3.67 Se6 and Ba Bi2 Se4: new ternary
 semiconducting bismuth selenides
;
_journal_name_full               'Chemistry of Materials (1,1989-)'
_journal_page_first              622
_journal_page_last               633
_journal_volume                  13
_journal_year                    2001
_chemical_formula_sum            'Bi8 Rb2 Se13'
_chemical_name_systematic        'Rb2 Bi8 Se13'
_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                 96.571
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   13.4931
_cell_length_b                   4.1558
_cell_length_c                   24.876
_cell_volume                     1385.749
_citation_journal_id_ASTM        CMATEX
_cod_data_source_file            Iordanidis_CMATEX_2001_959.cif
_cod_data_source_block           Bi8Rb2Se13
_cod_database_code               4002337
Dehydration mechanism in brewsterite: single-crystal X-ray diffraction study
Sacerdoti, M.; Quartieri, S.; Vezzalini, G.; Microporous and Mesoporous Materials 41 (2000) 107–118; doi:

data_1526429
_publ_section_title
;
 Dehydration mechanism in brewsterite: single-crystal X-ray diffraction
 study
;
_journal_name_full               'Microporous and Mesoporous Materials'
_journal_page_first              107
_journal_page_last               118
_journal_volume                  41
_journal_year                    2000
_chemical_formula_sum            'Al4 Ba0.51 H4.26 O34.13 Si12 Sr1.49'
_chemical_name_systematic        '(Ba0.51 Sr1.49) (Al4 Si12 O32) (H2 O)2.13'
_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                 94.6
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   6.785
_cell_length_b                   16.988
_cell_length_c                   7.645
_cell_volume                     878.352
_citation_journal_id_ASTM        MIMMFJ
_cod_data_source_file            Sacerdoti_MIMMFJ_2000_262.cif
_cod_data_source_block           H4.26Al4Ba0.51O34.13Si12Sr1.49
_cod_original_cell_volume        878.3517
_cod_original_formula_sum        'H4.26 Al4 Ba0.51 O34.13 Si12 Sr1.49'
_cod_database_code               1526429
A2 Bi8 Se13 (A= Rb, Cs), Cs Bi3.67 Se6 and Ba Bi2 Se4: new ternary semiconducting bismuth selenides
Iordanidis, L.; Brazis, P.W.; Kyratsi, T.; Ireland, J.; Lane, M.; Kannewurf, C.R.; Dyck, J.S.; Ghelani, N.; Chen, W.; Uher, C.; Hogan, T.; Kanatzidis, M.G.; Chemistry of Materials (1,1989-) 13 (2001) 622–633; doi:

data_4002338
_publ_section_title
;
 A2 Bi8 Se13 (A= Rb, Cs), Cs Bi3.67 Se6 and Ba Bi2 Se4: new ternary
 semiconducting bismuth selenides
;
_journal_name_full               'Chemistry of Materials (1,1989-)'
_journal_page_first              622
_journal_page_last               633
_journal_volume                  13
_journal_year                    2001
_chemical_formula_sum            'Bi8 Cs2 Se13'
_chemical_name_systematic        'Cs2 Bi8 Se13'
_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                 96.848
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   13.704
_cell_length_b                   4.1532
_cell_length_c                   25.008
_cell_volume                     1413.187
_citation_journal_id_ASTM        CMATEX
_cod_data_source_file            Iordanidis_CMATEX_2001_960.cif
_cod_data_source_block           Bi8Cs2Se13
_cod_original_cell_volume        1413.188
_cod_database_code               4002338
Dehydration mechanism in brewsterite: single-crystal X-ray diffraction study
Sacerdoti, M.; Vezzalini, G.; Quartieri, S.; Microporous and Mesoporous Materials 41 (2000) 107–118; doi:

data_1526430
_publ_section_title
;
 Dehydration mechanism in brewsterite: single-crystal X-ray diffraction
 study
;
_journal_name_full               'Microporous and Mesoporous Materials'
_journal_page_first              107
_journal_page_last               118
_journal_volume                  41
_journal_year                    2000
_chemical_formula_sum            'Al4 Ba0.51 H5.76 O34.88 Si12 Sr1.49'
_chemical_name_systematic        '(Ba0.51 Sr1.49) (Al4 Si12 O32) (H2 O)2.88'
_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                 94.04
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   6.627
_cell_length_b                   16.4
_cell_length_c                   7.484
_cell_volume                     811.361
_citation_journal_id_ASTM        MIMMFJ
_cod_data_source_file            Sacerdoti_MIMMFJ_2000_263.cif
_cod_data_source_block           H5.76Al4Ba0.51O34.88Si12Sr1.49
_cod_original_cell_volume        811.3609
_cod_original_formula_sum        'H5.76 Al4 Ba0.51 O34.88 Si12 Sr1.49'
_cod_database_code               1526430
A2 Bi8 Se13 (A = Rb, Cs), Cs Bi3.67 Se6 and Ba Bi2 Se4: new ternary semiconducting bismuth selenides
Iordanidis, L.; Hogan, T.; Brazis, P.W.; Kanatzidis, M.G.; Kyratsi, T.; Ireland, J.; Uher, C.; Lane, M.; Chen, W.; Kannewurf, C.R.; Ghelani, N.; Dyck, J.S.; Chemistry of Materials (1,1989-) 13 (2001) 622–633; doi:

data_4002339
_publ_section_title
;
 A2 Bi8 Se13 (A = Rb, Cs), Cs Bi3.67 Se6 and Ba Bi2 Se4: new ternary
 semiconducting bismuth selenides
;
_journal_name_full               'Chemistry of Materials (1,1989-)'
_journal_page_first              622
_journal_page_last               633
_journal_volume                  13
_journal_year                    2001
_chemical_formula_sum            'Bi3.67 Cs Se6'
_chemical_name_systematic        'Cs Bi3.67 Se6'
_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                   23.421
_cell_length_b                   4.1877
_cell_length_c                   13.71
_cell_volume                     1344.678
_citation_journal_id_ASTM        CMATEX
_cod_data_source_file            Iordanidis_CMATEX_2001_961.cif
_cod_data_source_block           Bi3.67Cs1Se6
_cod_original_formula_sum        'Bi3.67 Cs1 Se6'
_cod_database_code               4002339
Crystal structure of cesium indium double selenate dihydrate Cs In (Se O4)2 * 2(H2 O)
Saf'yanov, Yu.N.; Kuz'min, E.A.; Belov, N.V.; Ilyukhin, V.V.; Doklady Akademii Nauk SSSR 224 (1975) 335–337; doi:

data_1526431
_publ_section_title
;
 Crystal structure of cesium indium double selenate dihydrate Cs In (Se
 O4)2 * 2(H2 O)
;
_journal_name_full               'Doklady Akademii Nauk SSSR'
_journal_page_first              335
_journal_page_last               337
_journal_volume                  224
_journal_year                    1975
_chemical_formula_sum            'Cs H4 In O10 Se2'
_chemical_name_systematic        'Cs In (Se O4)2 (H2 O)2'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-B 2b'
_symmetry_space_group_name_H-M   'B 1 1 2/b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                105.03
_cell_formula_units_Z            4
_cell_length_a                   9.439
_cell_length_b                   7.159
_cell_length_c                   14.84
_cell_volume                     968.490
_citation_journal_id_ASTM        DANKAS
_cod_data_source_file            Safyanov_DANKAS_1975_853.cif
_cod_data_source_block           H4Cs1In1O10Se2
_cod_original_cell_volume        968.4898
_cod_original_sg_symbol_Hall     '-C 2yc (-x,z,y)'
_cod_original_formula_sum        'H4 Cs1 In1 O10 Se2'
_cod_database_code               1526431
A2 Bi8 Se13 (A = Rb, Cs), Cs Bi3.67 Se6 and Ba Bi2 Se4: new ternary semiconducting bismuth selenides
Iordanidis, L.; Brazis, P.W.; Kyratsi, T.; Kanatzidis, M.G.; Ireland, J.; Hogan, T.; Lane, M.; Kannewurf, C.R.; Chen, W.; Ghelani, N.; Dyck, J.S.; Uher, C.; Chemistry of Materials (1,1989-) 13 (2001) 622–633; doi:

data_4002340
_publ_section_title
;
 A2 Bi8 Se13 (A = Rb, Cs), Cs Bi3.67 Se6 and Ba Bi2 Se4: new ternary
 semiconducting bismuth selenides
;
_journal_name_full               'Chemistry of Materials (1,1989-)'
_journal_page_first              622
_journal_page_last               633
_journal_volume                  13
_journal_year                    2001
_chemical_formula_sum            'Ba1.073 Bi2 Se4'
_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            12
_cell_length_a                   26.157
_cell_length_b                   26.157
_cell_length_c                   4.3245
_cell_volume                     2562.373
_citation_journal_id_ASTM        CMATEX
_cod_data_source_file            Iordanidis_CMATEX_2001_962.cif
_cod_data_source_block           Ba1.073Bi2Se4
_cod_database_code               4002340
Crystal structure of the Nd Ge1.66 compound
Salamakha, P.S.; Sologub, O.L.; Righi, L.; Demchenko, P.; Bocelli, G.; Journal of Alloys Compd. 315 (2001) 1–3; doi:

data_1526432
_publ_section_title
;
 Crystal structure of the Nd Ge1.66 compound
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              1
_journal_page_last               3
_journal_volume                  315
_journal_year                    2001
_chemical_formula_sum            'Ge1.667 Nd'
_chemical_name_systematic        'Nd Ge1.667'
_space_group_IT_number           141
_symmetry_space_group_name_Hall  '-I 4bd 2'
_symmetry_space_group_name_H-M   'I 41/a m d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.18
_cell_length_b                   4.18
_cell_length_c                   13.98
_cell_volume                     244.264
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Salamakha_JALCEU_2001_1162.cif
_cod_data_source_block           Ge1.667Nd1
_cod_original_cell_volume        244.2641
_cod_original_formula_sum        'Ge1.667 Nd1'
_cod_database_code               1526432
Single-crystal investigation of the neodymium rhodium germanides Nd Rh2 Ge2, Nd2 Rh3 Ge5 and Nd Rh0.79 Ge0.54
Salamakha, P.S.; Sologub, O.L.; Righi, L.; Bocelli, G.; Journal of Alloys Compd. 316 (2001) 220–225; doi:

data_1526433
_publ_section_title
;
 Single-crystal investigation of the neodymium rhodium germanides Nd Rh2
 Ge2, Nd2 Rh3 Ge5 and Nd Rh0.79 Ge0.54
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              220
_journal_page_last               225
_journal_volume                  316
_journal_year                    2001
_chemical_formula_sum            'Ge2 Nd Rh2'
_chemical_name_systematic        'Nd Rh2 Ge2'
_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                   4.153
_cell_length_b                   4.153
_cell_length_c                   10.363
_cell_volume                     178.735
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Salamakha_JALCEU_2001_1185.cif
_cod_data_source_block           Ge2Nd1Rh2
_cod_original_cell_volume        178.7349
_cod_original_formula_sum        'Ge2 Nd1 Rh2'
_cod_database_code               1526433
Structure and thermal expansion of the low-temperature phase of S F6
Isakina, A.P.; Prokhvatilov, A.I.; Rodriguez-Carvajal, J.; Fizika Nizkikh Temperatur 26 (2000) 404–414; doi:

data_1526434
_publ_section_title
;
 Structure and thermal expansion of the low-temperature phase of S F6
;
_journal_name_full               'Fizika Nizkikh Temperatur'
_journal_page_first              404
_journal_page_last               414
_journal_volume                  26
_journal_year                    2000
_chemical_formula_sum            'F6 S'
_chemical_name_systematic        'S F6'
_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                 95.586
_cell_angle_gamma                90
_cell_formula_units_Z            6
_cell_length_a                   13.8028
_cell_length_b                   8.1392
_cell_length_c                   4.7494
_cell_volume                     531.032
_citation_journal_id_ASTM        FNTAA5
_cod_data_source_file            Isakina_FNTAA5_2000_199.cif
_cod_data_source_block           F6S1
_cod_original_cell_volume        531.0317
_cod_original_formula_sum        'F6 S1'
_cod_database_code               1526434
Single-crystal investigation of the neodymium rhodium germanides Nd Rh2 Ge2, Nd2 Rh3 Ge5 and Nd Rh0.79 Ge0.54
Salamakha, P.S.; Sologub, O.L.; Bocelli, G.; Righi, L.; Journal of Alloys Compd. 316 (2001) 220–225; doi:

data_1526435
_publ_section_title
;
 Single-crystal investigation of the neodymium rhodium germanides Nd Rh2
 Ge2, Nd2 Rh3 Ge5 and Nd Rh0.79 Ge0.54
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              220
_journal_page_last               225
_journal_volume                  316
_journal_year                    2001
_chemical_formula_sum            'Ge5 Nd2 Rh3'
_chemical_name_systematic        'Nd2 Rh3 Ge5'
_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                 119.7
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.61
_cell_length_b                   12.133
_cell_length_c                   5.929
_cell_volume                     725.467
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Salamakha_JALCEU_2001_1186.cif
_cod_data_source_block           Ge5Nd2Rh3
_cod_original_cell_volume        725.4667
_cod_database_code               1526435
New M M' O4 oxides derived from the rutile type: synthesis, structure and study of magnetic and electronic properties
Isasi, J.; Journal of Alloys Compd. 322 (2001) 89–96; doi:

data_1526436
_publ_section_title
;
 New M M' O4 oxides derived from the rutile type: synthesis, structure and
 study of magnetic and electronic properties
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              89
_journal_page_last               96
_journal_volume                  322
_journal_year                    2001
_chemical_formula_sum            'O4 Rh Sb'
_chemical_name_systematic        'Rh (Sb O4)'
_space_group_IT_number           136
_symmetry_space_group_name_Hall  '-P 4n 2n'
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   4.619
_cell_length_b                   4.619
_cell_length_c                   3.1038
_cell_volume                     66.220
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Isasi_JALCEU_2001_1296.cif
_cod_data_source_block           O4Rh1Sb1
_cod_original_cell_volume        66.22007
_cod_original_formula_sum        'O4 Rh1 Sb1'
_cod_database_code               1526436
Single-crystal investigation of the neodymium rhodium germanides NdRh2 Ge2, Nd2 Rh3 Ge5 and Nd Rh0.79 Ge0.54
Salamakha, P.S.; Bocelli, G.; Sologub, O.L.; Righi, L.; Journal of Alloys Compd. 316 (2001) 220–225; doi:

data_1526437
_publ_section_title
;
 Single-crystal investigation of the neodymium rhodium germanides NdRh2
 Ge2, Nd2 Rh3 Ge5 and Nd Rh0.79 Ge0.54
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              220
_journal_page_last               225
_journal_volume                  316
_journal_year                    2001
_chemical_formula_sum            'Ge0.54 Nd Rh0.79'
_chemical_name_systematic        'Nd Rh0.79 Ge0.54'
_space_group_IT_number           221
_symmetry_space_group_name_Hall  '-P 4 2 3'
_symmetry_space_group_name_H-M   'P m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.995
_cell_length_b                   3.995
_cell_length_c                   3.995
_cell_volume                     63.760
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Salamakha_JALCEU_2001_1187.cif
_cod_data_source_block           Ge0.54Nd1Rh0.79
_cod_original_cell_volume        63.7603
_cod_original_formula_sum        'Ge0.54 Nd1 Rh0.79'
_cod_database_code               1526437
New M M' O4 oxides derived from the rutile type: synthesis, structure and study of magnetic and electronic properties
Isasi, J.; Journal of Alloys Compd. 322 (2001) 89–96; doi:

data_1526438
_publ_section_title
;
 New M M' O4 oxides derived from the rutile type: synthesis, structure and
 study of magnetic and electronic properties
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              89
_journal_page_last               96
_journal_volume                  322
_journal_year                    2001
_chemical_formula_sum            'Ni1.5 O4 V'
_chemical_name_systematic        'Ni1.5 (V O4)'
_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                   5.933
_cell_length_b                   11.385
_cell_length_c                   8.239
_cell_volume                     556.521
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Isasi_JALCEU_2001_1297.cif
_cod_data_source_block           Ni1.5O4V1
_cod_original_cell_volume        556.5215
_cod_original_formula_sum        'Ni1.5 O4 V1'
_cod_database_code               1526438
Powder and single-crystal X-ray structural refinements on a natural chromite: dependence of site occupancies on experimental strategies
Salviulo, G.; della Giusta, A.; Carbonin, S.; Materials Science Forum 321 (2000) 46–52; doi:

data_1526439
_publ_section_title
;
 Powder and single-crystal X-ray structural refinements on a natural
 chromite: dependence of site occupancies on experimental strategies
;
_journal_name_full               'Materials Science Forum'
_journal_page_first              46
_journal_page_last               52
_journal_volume                  321
_journal_year                    2000
_chemical_formula_sum            'Al0.54 Cr1.46 Fe0.51 Mg0.49 O4'
_chemical_name_systematic        '(Fe0.51 Mg0.49) (Cr0.73 Al0.27)2 O4'
_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                   8.3017
_cell_length_b                   8.3017
_cell_length_c                   8.3017
_cell_volume                     572.138
_citation_journal_id_ASTM        MSFOEP
_cod_data_source_file            Salviulo_MSFOEP_2000_343.cif
_cod_data_source_block           Al0.54Cr1.46Fe0.51Mg0.49O4
_cod_original_cell_volume        572.1384
_cod_database_code               1526439
New M M' O4 oxides derived from the rutile type: synthesis, structure and study of magnetic and electronic properties
Isasi, J.; Journal of Alloys Compd. 322 (2001) 89–96; doi:

data_1526440
_publ_section_title
;
 New M M' O4 oxides derived from the rutile type: synthesis, structure and
 study of magnetic and electronic properties
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              89
_journal_page_last               96
_journal_volume                  322
_journal_year                    2001
_chemical_formula_sum            'Ni O4 Te'
_chemical_name_systematic        'Ni (Te O4)'
_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                 123.44
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.102
_cell_length_b                   4.647
_cell_length_c                   5.547
_cell_volume                     131.253
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Isasi_JALCEU_2001_1298.cif
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