LMucko/crystallography-open-database huggingface dataset:
Crystal structure analysis of Al B10 by the convolution molecule method
Will, G.; Acta Crystallographica (1,1948-23,1967) 23 (1967) 1071–1079; doi:

data_2310322
_publ_section_title
;
 Crystal structure analysis of Al B10 by the convolution molecule method
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              1071
_journal_page_last               1079
_journal_volume                  23
_journal_year                    1967
_chemical_formula_sum            'Al0.61 B6.5'
_chemical_name_systematic        'Al B10'
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   5.69
_cell_length_b                   8.881
_cell_length_c                   9.1
_cell_volume                     459.849
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Will_ACCRA9_1967_52.cif
_cod_data_source_block           Al0.61B6.5
_cod_original_cell_volume        459.8493
_cod_database_code               2310322
Ordering of atoms in the sigma phase of Fe Mo
Wilson, C.G.; Spooner, F.J.; Acta Crystallographica (1,1948-23,1967) 16 (1963) 230–230; doi:

data_2310323
_publ_section_title
;
 Ordering of atoms in the sigma phase of Fe Mo
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              230
_journal_page_last               230
_journal_volume                  16
_journal_year                    1963
_chemical_formula_sum            'Fe Mo'
_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            15
_cell_length_a                   9.128
_cell_length_b                   9.128
_cell_length_c                   4.813
_cell_volume                     401.021
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Wilson_ACCRA9_1963_1982.cif
_cod_data_source_block           Fe1Mo1
_cod_original_cell_volume        401.0211
_cod_original_formula_sum        'Fe1 Mo1'
_cod_database_code               2310323
The preparation and identification of some intermetallic compounds of polonium
Witteman, W.G.; Vier, D.T.; Giorgi, A.L.; Journal of Physical Chemistry 64 (1960) 434–440; doi:

data_1525466
_publ_section_title
;
 The preparation and identification of some intermetallic compounds of
 polonium
;
_journal_name_full               'Journal of Physical Chemistry'
_journal_page_first              434
_journal_page_last               440
_journal_volume                  64
_journal_year                    1960
_chemical_formula_sum            'Cd Po'
_space_group_IT_number           216
_symmetry_space_group_name_Hall  'F -4 2 3'
_symmetry_space_group_name_H-M   'F -4 3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.665
_cell_length_b                   6.665
_cell_length_c                   6.665
_cell_volume                     296.074
_citation_journal_id_ASTM        JPCHAX
_cod_data_source_file            Witteman_JPCHAX_1960_681.cif
_cod_data_source_block           Cd1Po1
_cod_original_cell_volume        296.0741
_cod_original_formula_sum        'Cd1 Po1'
_cod_database_code               1525466
Roentgenstrukturanalysen an wasserhaltigen Thalliumpolyboraten I. Die Struktur von Tl2 (B4 O6 (O H)2) (H2 O)2
Woller, K.H.; Heller, G.; Zeitschrift fuer Kristallographie (149,1979-) 156 (1981) 151–157; doi:

data_8103602
_publ_section_title
;
 Roentgenstrukturanalysen an wasserhaltigen Thalliumpolyboraten I. Die
 Struktur von Tl2 (B4 O6 (O H)2) (H2 O)2
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              151
_journal_page_last               157
_journal_volume                  156
_journal_year                    1981
_chemical_formula_sum            'B4 H6 O10 Tl2'
_chemical_name_systematic        'Tl2 (B4 O6 (O H)2) (H2 O)2'
_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                   10.909
_cell_length_b                   9.762
_cell_length_c                   9.45
_cell_volume                     1006.365
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Woller_ZEKRDZ_1981_423.cif
_cod_data_source_block           H6B4O10Tl2
_cod_original_formula_sum        'H6 B4 O10 Tl2'
_cod_database_code               8103602
Roentgenstrukturanalysen an wasserhaltigen Thalliumpolyboraten II. Die Struktur von Tl (B5 O6 (O H)4) (H2 O)2
Woller, K.H.; Heller, G.; Zeitschrift fuer Kristallographie (149,1979-) 156 (1981) 159–166; doi:

data_8103603
_publ_section_title
;
 Roentgenstrukturanalysen an wasserhaltigen Thalliumpolyboraten II. Die
 Struktur von Tl (B5 O6 (O H)4) (H2 O)2
;
_journal_name_full               'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              159
_journal_page_last               166
_journal_volume                  156
_journal_year                    1981
_chemical_formula_sum            'B5 H8 O12 Tl'
_chemical_name_systematic        'Tl (B5 O6 (O H)4) (H2 O)2'
_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                 94.16
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.275
_cell_length_b                   7.155
_cell_length_c                   13.928
_cell_volume                     1120.648
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Woller_ZEKRDZ_1981_424.cif
_cod_data_source_block           H8B5O12Tl1
_cod_original_formula_sum        'H8 B5 O12 Tl1'
_cod_database_code               8103603
The crystal structure of Na2 Cd11
Wong Chihsiang; Chieh Chung; Lee Tseng-Yuh; Acta Crystallographica (1,1948-23,1967) 19 (1965) 849–852; doi:

data_2310324
_publ_section_title
;
 The crystal structure of Na2 Cd11
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              849
_journal_page_last               852
_journal_volume                  19
_journal_year                    1965
_chemical_formula_sum            'Cd11 Na2'
_space_group_IT_number           200
_symmetry_space_group_name_Hall  '-P 2 2 3'
_symmetry_space_group_name_H-M   'P m -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            3
_cell_length_a                   9.605
_cell_length_b                   9.605
_cell_length_c                   9.605
_cell_volume                     886.119
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            WongChihsiang_ACCRA9_1965_666.cif
_cod_data_source_block           Cd11Na2
_cod_database_code               2310324
Ordering in Co Pt - Fe Pt alloys
Woolley, J.C.; Bates, B.; Journal of the Less-Common Metals 1 (1959) 382–389; doi:

data_1525467
_publ_section_title
;
 Ordering in Co Pt - Fe Pt alloys
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              382
_journal_page_last               389
_journal_volume                  1
_journal_year                    1959
_chemical_formula_sum            'Co0.5 Fe0.5 Pt'
_chemical_name_systematic        '(Co.5 Fe.5) Pt'
_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            1
_cell_length_a                   2.71
_cell_length_b                   2.71
_cell_length_c                   3.718
_cell_volume                     27.305
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Woolley_JCOMAH_1959_983.cif
_cod_data_source_block           Co0.5Fe0.5Pt1
_cod_original_cell_volume        27.30536
_cod_original_formula_sum        'Co0.5 Fe0.5 Pt1'
_cod_database_code               1525467
Ordering in Co Pt - Ni Pt alloys
Woolley, J.C.; Bates, B.; Journal of the Less-Common Metals 2 (1960) 11–18; doi:

data_1525468
_publ_section_title
;
 Ordering in Co Pt - Ni Pt alloys
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              11
_journal_page_last               18
_journal_volume                  2
_journal_year                    1960
_chemical_formula_sum            'Co0.5 Ni0.5 Pt'
_chemical_name_systematic        '(Co0.5 Ni0.5) Pt'
_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            1
_cell_length_a                   2.6975
_cell_length_b                   2.6975
_cell_length_c                   3.6507
_cell_volume                     26.564
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Woolley_JCOMAH_1960_1149.cif
_cod_data_source_block           Co0.5Ni0.5Pt1
_cod_original_cell_volume        26.56434
_cod_original_formula_sum        'Co0.5 Ni0.5 Pt1'
_cod_database_code               1525468
Ordering in Co Pt - Ni Pt alloys
Woolley, J.C.; Bates, B.; Journal of the Less-Common Metals 2 (1960) 11–18; doi:

data_1525469
_publ_section_title
;
 Ordering in Co Pt - Ni Pt alloys
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              11
_journal_page_last               18
_journal_volume                  2
_journal_year                    1960
_chemical_formula_sum            'Co0.5 Ni0.5 Pt'
_chemical_name_systematic        '(Co0.5 Ni0.5 Pt)'
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.763
_cell_length_b                   3.763
_cell_length_c                   3.763
_cell_volume                     53.285
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Woolley_JCOMAH_1960_1150.cif
_cod_data_source_block           Co0.5Ni0.5Pt1
_cod_original_cell_volume        53.28472
_cod_original_formula_sum        'Co0.5 Ni0.5 Pt1'
_cod_database_code               1525469
Ordering in Co Pt - Cr Pt and Co Pt - Mn Pt alloys
Woolley, J.C.; Phillips, J.H.; Clark, J.A.; Journal of the Less-Common Metals 6 (1964) 461–471; doi:

data_1525470
_publ_section_title
;
 Ordering in Co Pt - Cr Pt and Co Pt - Mn Pt alloys
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              461
_journal_page_last               471
_journal_volume                  6
_journal_year                    1964
_chemical_formula_sum            'Co0.6 Mn0.4 Pt'
_chemical_name_systematic        '(Co0.6 Mn0.4) Pt'
_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            1
_cell_length_a                   2.71
_cell_length_b                   2.71
_cell_length_c                   3.709
_cell_volume                     27.239
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Woolley_JCOMAH_1964_1102.cif
_cod_data_source_block           Co0.6Mn0.4Pt1
_cod_original_cell_volume        27.23927
_cod_original_formula_sum        'Co0.6 Mn0.4 Pt1'
_cod_database_code               1525470
Ordering in Co Pt - Cr Pt and Co Pt - Mn Pt alloys
Woolley, J.C.; Phillips, J.H.; Clark, J.A.; Journal of the Less-Common Metals 6 (1964) 461–471; doi:

data_1525471
_publ_section_title
;
 Ordering in Co Pt - Cr Pt and Co Pt - Mn Pt alloys
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              461
_journal_page_last               471
_journal_volume                  6
_journal_year                    1964
_chemical_formula_sum            'Co0.6 Mn0.4 Pt'
_chemical_name_systematic        '(Co0.6 Mn0.4 Pt)'
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.86
_cell_length_b                   3.86
_cell_length_c                   3.86
_cell_volume                     57.512
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Woolley_JCOMAH_1964_1103.cif
_cod_data_source_block           Co0.6Mn0.4Pt1
_cod_original_cell_volume        57.51245
_cod_original_formula_sum        'Co0.6 Mn0.4 Pt1'
_cod_database_code               1525471
Ordering in Co Pt - Cr Pt and Co Pt - Mn Pt alloys
Woolley, J.C.; Phillips, J.H.; Clark, J.A.; Journal of the Less-Common Metals 6 (1964) 461–471; doi:

data_1525472
_publ_section_title
;
 Ordering in Co Pt - Cr Pt and Co Pt - Mn Pt alloys
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              461
_journal_page_last               471
_journal_volume                  6
_journal_year                    1964
_chemical_formula_sum            'Co Pt'
_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            1
_cell_length_a                   2.691
_cell_length_b                   2.691
_cell_length_c                   3.684
_cell_volume                     26.678
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Woolley_JCOMAH_1964_1186.cif
_cod_data_source_block           Co1Pt1
_cod_original_cell_volume        26.67762
_cod_original_formula_sum        'Co1 Pt1'
_cod_database_code               1525472
Ordering in Co Pt - Cr Pt and Co Pt - Mn Pt alloys
Woolley, J.C.; Phillips, J.H.; Clark, J.A.; Journal of the Less-Common Metals 6 (1964) 461–471; doi:

data_1525473
_publ_section_title
;
 Ordering in Co Pt - Cr Pt and Co Pt - Mn Pt alloys
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              461
_journal_page_last               471
_journal_volume                  6
_journal_year                    1964
_chemical_formula_sum            'Co Cr Pt2'
_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            1
_cell_length_a                   3.819
_cell_length_b                   3.819
_cell_length_c                   3.746
_cell_volume                     54.635
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Woolley_JCOMAH_1964_916.cif
_cod_data_source_block           Co1Cr1Pt2
_cod_original_cell_volume        54.63451
_cod_original_formula_sum        'Co1 Cr1 Pt2'
_cod_database_code               1525473
Phase structure of the Ti Cu1-x Fex system
Wu Chuying; Li Jianchun; Metallurgical Transactions A: Physical Metallurgy and Materials Science 20 (1989) 981–985; doi:

data_1525474
_publ_section_title
;
 Phase structure of the Ti Cu1-x Fex system
;
_journal_name_full
;
Metallurgical Transactions A: Physical Metallurgy and Materials Science
;
_journal_page_first              981
_journal_page_last               985
_journal_volume                  20
_journal_year                    1989
_chemical_formula_sum            'Cu0.5 Fe0.5 Ti'
_chemical_name_systematic        '(Cu0.5 Fe0.5) Ti'
_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                   3.035
_cell_length_b                   3.035
_cell_length_c                   3.035
_cell_volume                     27.956
_citation_journal_id_ASTM        MTTABN
_cod_data_source_file            WuChuying_MTTABN_1989_1422.cif
_cod_data_source_block           Cu0.5Fe0.5Ti1
_cod_original_cell_volume        27.95607
_cod_original_formula_sum        'Cu0.5 Fe0.5 Ti1'
_cod_database_code               1525474
Refinement of the crystal structure of Ca Cr F5
Wu, K.K.; Brown, I.D.; Materials Research Bulletin 8 (1973) 593–598; doi:

data_1525475
_publ_section_title
;
 Refinement of the crystal structure of Ca Cr F5
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              593
_journal_page_last               598
_journal_volume                  8
_journal_year                    1973
_chemical_formula_sum            'Ca Cr F5'
_chemical_name_systematic        'Ca (Cr F5)'
_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                 115.85
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.005
_cell_length_b                   6.472
_cell_length_c                   7.533
_cell_volume                     395.096
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            Wu_MRBUAC_1973_1383.cif
_cod_data_source_block           Ca1Cr1F5
_cod_original_cell_volume        395.0964
_cod_original_formula_sum        'Ca1 Cr1 F5'
_cod_database_code               1525475
Zur Umbildung der Gitterstruktur vom B2-Typ in den L21-Typ am Beispil von Co50 Mnx Ga50-x
Wunsch, K.M.; Wachtel, E.; Journal of the Less-Common Metals 66 (1979) 13–21; doi:

data_1525476
_publ_section_title
;
 Zur Umbildung der Gitterstruktur vom B2-Typ in den L21-Typ am Beispil von
 Co50 Mnx Ga50-x
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              13
_journal_page_last               21
_journal_volume                  66
_journal_year                    1979
_chemical_formula_sum            'Co Ga0.7 Mn0.3'
_chemical_name_systematic        'Co (Mn0.3 Ga0.7)'
_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                   2.8929
_cell_length_b                   2.8929
_cell_length_c                   2.8929
_cell_volume                     24.210
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Wunsch_JCOMAH_1979_1020.cif
_cod_data_source_block           Co1Ga0.7Mn0.3
_cod_original_cell_volume        24.2103
_cod_original_formula_sum        'Co1 Ga0.7 Mn0.3'
_cod_database_code               1525476
Defektstruktur und Gitterparameter von Co-Ga Legierungen mit B2-Struktur
Wunsch, K.M.; Wachtel, E.; Zeitschrift fuer Metallkunde 73 (1982) 311–315; doi:

data_1525477
_publ_section_title
;
 Defektstruktur und Gitterparameter von Co-Ga Legierungen mit B2-Struktur
;
_journal_name_full               'Zeitschrift fuer Metallkunde'
_journal_page_first              311
_journal_page_last               315
_journal_volume                  73
_journal_year                    1982
_chemical_formula_sum            'Co Ga'
_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                   2.8831
_cell_length_b                   2.8831
_cell_length_c                   2.8831
_cell_volume                     23.965
_citation_journal_id_ASTM        ZEMTAE
_cod_data_source_file            Wunsch_ZEMTAE_1982_1004.cif
_cod_data_source_block           Co1Ga1
_cod_original_cell_volume        23.96509
_cod_original_formula_sum        'Co1 Ga1'
_cod_database_code               1525477
Atom distribution in sigma-phases. I. Fe and Cr distribution in a binary phase equilibrated at 1063, 1013 and 923 K
Yakel, H.L.jr.; Acta Crystallographica B (39,1983-) 39 (1983) 20–28; doi:

data_2106166
_publ_section_title
;
 Atom distribution in sigma-phases. I. Fe and Cr distribution in a binary
 phase equilibrated at 1063, 1013 and 923 K
;
_journal_name_full               'Acta Crystallographica B (39,1983-)'
_journal_page_first              20
_journal_page_last               28
_journal_volume                  39
_journal_year                    1983
_chemical_formula_sum            'Cr0.964 Fe1.036'
_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            15
_cell_length_a                   8.7968
_cell_length_b                   8.7968
_cell_length_c                   4.5585
_cell_volume                     352.754
_citation_journal_id_ASTM        ASBSDK
_cod_data_source_file            Yakel_ASBSDK_1983_1282.cif
_cod_data_source_block           Cr0.964Fe1.036
_cod_original_cell_volume        352.7535
_cod_database_code               2106166
Atom distributions in sigma-phases. II. Estimations of average site-occupation parameters in a sigme-phase containing Fe, Cr, Ni, Mo and Mn
Yakel, H.L.jr.; Acta Crystallographica B (39,1983-) 39 (1983) 28–33; doi:

data_2106167
_publ_section_title
;
 Atom distributions in sigma-phases. II. Estimations of average
 site-occupation parameters in a sigme-phase containing Fe, Cr, Ni, Mo and
 Mn
;
_journal_name_full               'Acta Crystallographica B (39,1983-)'
_journal_page_first              28
_journal_page_last               33
_journal_volume                  39
_journal_year                    1983
_chemical_formula_sum            'Cr9.32 Fe15.52 Mn0.37 Mo2.21 Ni2.6'
_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                   8.839
_cell_length_b                   8.839
_cell_length_c                   4.5973
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