LMucko/crystallography-open-database huggingface dataset:
Refinement of the Crystal Structure of Some Rare Earth Vanadates R V O4 (R = Dy, Tb, Ho, Yb)
Fuess, H.; Kallel, A.; Journal of Solid State Chemistry 5 (1972) 11–14; doi:

data_1526061
_publ_section_title
;
 Refinement of the Crystal Structure of Some Rare Earth Vanadates R V O4
 (R = Dy, Tb, Ho, Yb)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              11
_journal_page_last               14
_journal_volume                  5
_journal_year                    1972
_chemical_formula_sum            'Ho O4 V'
_chemical_name_systematic        'Ho (V O4)'
_space_group_IT_number           141
_symmetry_space_group_name_Hall  'I 4bw 2bw -1bw'
_symmetry_space_group_name_H-M   'I 41/a m d :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.1214
_cell_length_b                   7.1214
_cell_length_c                   6.2926
_cell_volume                     319.125
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Fuess_JSSCBI_1972_1781.cif
_cod_data_source_block           Ho1O4V1
_cod_original_sg_symbol_Hall     '-I 4bd 2 (x+1/2,y+1/4,z+1/8)'
_cod_original_formula_sum        'Ho1 O4 V1'
_cod_database_code               1526061
The structure and luminescent properties of Mn0.5 Zr2 (P O4)3
Mouline, A.; Alami, M.; Brochu, R.; Olazcuaga, R.; Parent, C.; le Flem, G.; Materials Research Bulletin 35 (2000) 899–908; doi:

data_1526062
_publ_section_title
;
 The structure and luminescent properties of Mn0.5 Zr2 (P O4)3
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              899
_journal_page_last               908
_journal_volume                  35
_journal_year                    2000
_chemical_formula_sum            'Mn0.5 O12 P3 Zr2'
_chemical_name_systematic        'Mn0.5 Zr2 (P O4)3'
_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            6
_cell_length_a                   8.85
_cell_length_b                   8.85
_cell_length_c                   21.8
_cell_volume                     1478.678
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            Mouline_MRBUAC_2000_332.cif
_cod_data_source_block           Mn0.5O12P3Zr2
_cod_database_code               1526062
Structural phase transition and crystal structure for (N D4)4 D2 (Se O4)3 at low temperature
Fukami, T.; Chen, R.H.; Acta Physica Polonica, A 100 (2001) 53–65; doi:

data_1526063
_publ_section_title
;
 Structural phase transition and crystal structure for (N D4)4 D2 (Se O4)3
 at low temperature
;
_journal_name_full               'Acta Physica Polonica, A'
_journal_page_first              53
_journal_page_last               65
_journal_volume                  100
_journal_year                    2001
_chemical_formula_sum            'D18 N4 O12 Se3'
_chemical_name_systematic        '(N D4)4 D2 (Se O4)3'
_space_group_IT_number           1
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_cell_angle_alpha                114.34
_cell_angle_beta                 93.29
_cell_angle_gamma                107.53
_cell_formula_units_Z            2
_cell_length_a                   7.65
_cell_length_b                   10.336
_cell_length_c                   10.509
_cell_volume                     705.998
_citation_journal_id_ASTM        ATPLB6
_cod_data_source_file            Fukami_ATPLB6_2001_1021.cif
_cod_data_source_block           D18N4O12Se3
_cod_original_cell_volume        705.9977
_cod_database_code               1526063
Structural variants in A B O3 type perovskite oxides. On the structure of Ba Pb O3
Moussa, S.M.; Kennedy, B.J.; Vogt, T.; Solid State Communications 119 (2001) 549–552; doi:

data_1526064
_publ_section_title
;
 Structural variants in A B O3 type perovskite oxides. On the structure of
 Ba Pb O3
;
_journal_name_full               'Solid State Communications'
_journal_page_first              549
_journal_page_last               552
_journal_volume                  119
_journal_year                    2001
_chemical_formula_sum            'Ba O3 Pb'
_chemical_name_systematic        'Ba Pb O3'
_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                 134.806
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.5548
_cell_length_b                   8.4808
_cell_length_c                   6.0118
_cell_volume                     309.458
_citation_journal_id_ASTM        SSCOA4
_cod_data_source_file            Moussa_SSCOA4_2001_1945.cif
_cod_data_source_block           Ba1O3Pb1
_cod_original_formula_sum        'Ba1 O3 Pb1'
_cod_database_code               1526064
Structural study of a high-temperature phase in (N D4)3 D (S O4)2
Fukami, T.; Chen, R.H.; Horiuchi, K.; Solid State Ionics 131 (2000) 275–280; doi:

data_1526065
_publ_section_title
;
 Structural study of a high-temperature phase in (N D4)3 D (S O4)2
;
_journal_name_full               'Solid State Ionics'
_journal_page_first              275
_journal_page_last               280
_journal_volume                  131
_journal_year                    2000
_chemical_formula_sum            'D13 N3 O8 S2'
_chemical_name_systematic        '(N D4)3 D (S O4)2'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   5.892
_cell_length_b                   5.892
_cell_length_c                   22.544
_cell_volume                     677.777
_citation_journal_id_ASTM        SSIOD3
_cod_data_source_file            Fukami_SSIOD3_2000_568.cif
_cod_data_source_block           D13N3O8S2
_cod_original_cell_volume        677.7775
_cod_database_code               1526065
High-temperature modification of Y5 Sb3 and its ternary analogue Y5 Nix Sb3-x
Mozharivsky, Yu.; Franzen, H.F.; Journal of Alloys Compd. 319 (2001) 100–107; doi:

data_1526066
_publ_section_title
;
 High-temperature modification of Y5 Sb3 and its ternary analogue Y5 Nix
 Sb3-x
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              100
_journal_page_last               107
_journal_volume                  319
_journal_year                    2001
_chemical_formula_sum            'Ni0.38 Sb2.62 Y5'
_chemical_name_systematic        'Y5 Ni0.38 Sb2.62'
_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                   11.963
_cell_length_b                   9.133
_cell_length_c                   8.05
_cell_volume                     879.528
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Mozharivsky_JALCEU_2001_1233.cif
_cod_data_source_block           Ni0.38Sb2.62Y5
_cod_original_cell_volume        879.5276
_cod_database_code               1526066
Crystal structure of a zinc iodide complex with urea: Zn I2 * 2(C O (N H2)2)
Furmanova, N.G.; Resnyanskii, V.F.; Sulaimankulov, K.S.; Sulaimankulova, D.K.; Zhorobekova, Sh.Zh.; Kristallografiya 46 (2001) 58–62; doi:

data_1526067
_publ_section_title
;
 Crystal structure of a zinc iodide complex with urea: Zn I2 * 2(C O (N
 H2)2)
;
_journal_name_full               Kristallografiya
_journal_page_first              58
_journal_page_last               62
_journal_volume                  46
_journal_year                    2001
_chemical_formula_sum            'C2 H8 I2 N4 O2 Zn'
_chemical_name_systematic        '(Zn I2) (C O (N H2)2)2'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 110.58
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.694
_cell_length_b                   6.886
_cell_length_c                   13.161
_cell_volume                     1076.998
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Furmanova_KRISAJ_2001_1762.cif
_cod_data_source_block           C2H8I2N4O2Zn1
_cod_original_sg_symbol_Hall     '-P 2ybc (z,y,-x)'
_cod_original_formula_sum        'C2 H8 I2 N4 O2 Zn1'
_cod_database_code               1526067
Symmetry-breaking transitions from Gd Cu As2 through Gd Cu As1.15 P0.85 to Gd Cu P2.20: crystal structure, application of Landau theory, bonding, magnetic and electrical properties
Mozharivsky, Yu.; Kaczorowski, D.; Franzen, H.F.; Journal of Solid State Chemistry 155 (2000) 259–272; doi:

data_1526068
_publ_section_title
;
 Symmetry-breaking transitions from Gd Cu As2 through Gd Cu As1.15 P0.85
 to Gd Cu P2.20: crystal structure, application of Landau theory, bonding,
 magnetic and electrical properties
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              259
_journal_page_last               272
_journal_volume                  155
_journal_year                    2000
_chemical_formula_sum            'As2 Cu Gd'
_chemical_name_systematic        'Gd Cu As2'
_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                   3.917
_cell_length_b                   3.917
_cell_length_c                   9.939
_cell_volume                     152.493
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Mozharivsky_JSSCBI_2000_50.cif
_cod_data_source_block           As2Cu1Gd1
_cod_original_formula_sum        'As2 Cu1 Gd1'
_cod_database_code               1526068
Solid-state NMR and X-ray diffraction structural investigations of the p-nitroaniline/ZSM-5 komplex
Fyfe, C.A.; Brouwer, D.H.; Microporous and Mesoporous Materials 39 (2000) 291–305; doi:

data_1526069
_publ_section_title
;
 Solid-state NMR and X-ray diffraction structural investigations of the
 p-nitroaniline/ZSM-5 komplex
;
_journal_name_full               'Microporous and Mesoporous Materials'
_journal_page_first              291
_journal_page_last               305
_journal_volume                  39
_journal_year                    2000
_chemical_formula_sum            'C24 H24 N8 O200 Si96'
_chemical_name_systematic        '(Si96 O192) (C6 H6 N2 O2)4'
_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            1
_cell_length_a                   19.9191
_cell_length_b                   19.89119
_cell_length_c                   13.3388
_cell_volume                     5285.027
_citation_journal_id_ASTM        MIMMFJ
_cod_data_source_file            Fyfe_MIMMFJ_2000_243.cif
_cod_data_source_block           C24H24N8O200Si96
_cod_database_code               1526069
Symmetry-breaking transitions from Gd Cu As2 through Gd Cu As1.15 P0.85 to Gd Cu P2.20: crystal structure, application of Landau theory, bonding, magnetic and electrical properties
Mozharivsky, Yu.; Kaczorowski, D.; Franzen, H.F.; Journal of Solid State Chemistry 155 (2000) 259–272; doi:

data_1526070
_publ_section_title
;
 Symmetry-breaking transitions from Gd Cu As2 through Gd Cu As1.15 P0.85
 to Gd Cu P2.20: crystal structure, application of Landau theory, bonding,
 magnetic and electrical properties
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              259
_journal_page_last               272
_journal_volume                  155
_journal_year                    2000
_chemical_formula_sum            'Cu Gd P2.195'
_chemical_name_systematic        'Gd Cu P2.195'
_space_group_IT_number           25
_symmetry_space_group_name_Hall  'P 2 -2'
_symmetry_space_group_name_H-M   'P m m 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.3747
_cell_length_b                   5.383
_cell_length_c                   9.7375
_cell_volume                     281.725
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Mozharivsky_JSSCBI_2000_51.cif
_cod_data_source_block           Cu1Gd1P2.195
_cod_original_cell_volume        281.7255
_cod_original_formula_sum        'Cu1 Gd1 P2.195'
_cod_database_code               1526070
Solid solution compositions of Pb3 (Sr, Ca)5 Cu Oy and refinement with the Rietveld method
Gaeberlein, P.O.G.; Materials Science Forum 321 (2000) 846–851; doi:

data_1526071
_publ_section_title
;
 Solid solution compositions of Pb3 (Sr, Ca)5 Cu Oy and refinement with
 the Rietveld method
;
_journal_name_full               'Materials Science Forum'
_journal_page_first              846
_journal_page_last               851
_journal_volume                  321
_journal_year                    2000
_chemical_formula_sum            'Ca Cu O10.62 Pb3 Sr4'
_chemical_name_systematic        'Pb3 Sr4 Ca Cu O10.62'
_space_group_IT_number           189
_symmetry_space_group_name_Hall  'P -6 -2'
_symmetry_space_group_name_H-M   'P -6 2 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   10.054
_cell_length_b                   10.054
_cell_length_c                   3.528
_cell_volume                     308.842
_citation_journal_id_ASTM        MSFOEP
_cod_data_source_file            Gaeberlein_MSFOEP_2000_347.cif
_cod_data_source_block           Ca1Cu1O10.62Pb3Sr4
_cod_original_cell_volume        308.8424
_cod_original_formula_sum        'Ca1 Cu1 O10.62 Pb3 Sr4'
_cod_database_code               1526071
Modulated crystal structure and electronic properties of semiconductor Cu47 Si91 P144
Mozharivsky, Yu.; Lang, O.; Franzen, H.F.; Zeitschrift fuer Anorganische und Allgemeine Chemie 626 (2000) 2153–2160; doi:

data_1526072
_publ_section_title
;
 Modulated crystal structure and electronic properties of semiconductor
 Cu47 Si91 P144
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              2153
_journal_page_last               2160
_journal_volume                  626
_journal_year                    2000
_chemical_formula_sum            'Cu47.18 P144 Si91.22'
_chemical_name_systematic        'Cu47.18 Si91.22 P144'
_space_group_IT_number           119
_symmetry_space_group_name_Hall  'I -4 -2'
_symmetry_space_group_name_H-M   'I -4 m 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   22.255
_cell_length_b                   22.255
_cell_length_c                   10.386
_cell_volume                     5144.030
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Mozharivsky_ZAACAB_2000_775.cif
_cod_data_source_block           Cu47.18P144Si91.22
_cod_original_cell_volume        5144.03
_cod_database_code               1526072
A new silicon-doped cation-deficient thiospinel, Cu5.52(8) Si1.04(8) (vac)1.44 Fe4 Sn12 S32 : crystal structure, Mossbauer studies and electrical properties
Garg, G.; Bobev, S.; Ganguli, A.K.; Roy, A.; Ghose, J.; Das, D.; Journal of Solid State Chemistry 161 (2001) 327–331; doi:

data_1526073
_publ_section_title
;
 A new silicon-doped cation-deficient thiospinel, Cu5.52(8) Si1.04(8)
 (vac)1.44 Fe4 Sn12 S32 : crystal structure, Mossbauer studies and
 electrical properties
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              327
_journal_page_last               331
_journal_volume                  161
_journal_year                    2001
_chemical_formula_sum            'Cu5.52 Fe4 S32 Si1.04 Sn12'
_chemical_name_systematic        'Cu5.52 Si1.04 Fe4 Sn12 S32'
_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                   10.3322
_cell_length_b                   10.3322
_cell_length_c                   10.3322
_cell_volume                     1103.007
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Garg_JSSCBI_2001_1699.cif
_cod_data_source_block           Cu5.52Fe4S32Si1.04Sn12
_cod_database_code               1526073
Structure refinement of zinc containing gallophosphate with the ULM-5 structure
Mrak, M.; Zabukovec Logar, N.; Helliwell, M.; Ristic, A.; Kaucic, V.; Acta Chimica Slovenica 48 (2001) 147–158; doi:

data_1526074
_publ_section_title
;
 Structure refinement of zinc containing gallophosphate with the ULM-5
 structure
;
_journal_name_full               'Acta Chimica Slovenica'
_journal_page_first              147
_journal_page_last               158
_journal_volume                  48
_journal_year                    2001
_chemical_formula_sum            'C12 H41 F4 Ga7 N4 O36 P8 Zn'
_chemical_name_systematic
;
(C6 H12 (N H2)2)2 Zn Ga7 (H P O4)2 (P O4)6 (O H) F4 (H2 O)3
;
_space_group_IT_number           18
_symmetry_space_group_name_Hall  'P 2 2ab'
_symmetry_space_group_name_H-M   'P 21 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   24.814
_cell_length_b                   18.458
_cell_length_c                   10.2575
_cell_volume                     4698.107
_citation_journal_id_ASTM        ACSLE7
_cod_data_source_file            Mrak_ACSLE7_2001_875.cif
_cod_data_source_block           C12H41F4Ga7N4O36P8Zn1
_cod_original_formula_sum        'C12 H41 F4 Ga7 N4 O36 P8 Zn1'
_cod_database_code               1526074
Structure determination of phi-(Bi8 Pb5 O17) by electron and powder X-ray diffraction
Gemmi, M.; Righi, L.; Calestani, G.; Bettinelli, M.; Migliori, A.; Speghini, A.; Santarosa, M.; Ultramicroscopy 84 (2000) 133–142; doi:

data_1526075
_publ_section_title
;
 Structure determination of phi-(Bi8 Pb5 O17) by electron and powder X-ray
 diffraction
;
_journal_name_full               Ultramicroscopy
_journal_page_first              133
_journal_page_last               142
_journal_volume                  84
_journal_year                    2000
_chemical_formula_sum            'Bi9.85 O21 Pb6.15'
_chemical_name_systematic        'Bi9.85 Pb6.15 O21'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                97.172
_cell_angle_beta                 118.48
_cell_angle_gamma                80.654
_cell_formula_units_Z            1
_cell_length_a                   7.452
_cell_length_b                   14.176
_cell_length_c                   7.209
_cell_volume                     659.522
_citation_journal_id_ASTM        ULTRD6
_cod_data_source_file            Gemmi_ULTRD6_2000_668.cif
_cod_data_source_block           Bi9.85O21Pb6.15
_cod_original_cell_volume        659.5215
_cod_database_code               1526075
Ueber den H- und A-Typ von La2 (Si2 O7)
Mueller-Bunz, H.; Schleid, T.; Zeitschrift fuer Anorganische und Allgemeine Chemie 626 (2000) 2549–2556; doi:

data_1526076
_publ_section_title
;
 Ueber den H- und A-Typ von La2 (Si2 O7)
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              2549
_journal_page_last               2556
_journal_volume                  626
_journal_year                    2000
_chemical_formula_sum            'La2 O7 Si2'
_chemical_name_systematic        'La2 (Si2 O7)'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                82.529
_cell_angle_beta                 88.027
_cell_angle_gamma                88.959
_cell_formula_units_Z            4
_cell_length_a                   6.8113
_cell_length_b                   6.8664
_cell_length_c                   12.5023
_cell_volume                     579.359
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Mueller-Bunz_ZAACAB_2000_787.cif
_cod_data_source_block           La2O7Si2
_cod_original_cell_volume        579.3586
_cod_database_code               1526076
Magnetic structures and magnetic phase transition in Tb Mn0.33 Ge2
Gil, A.; Hofmann, M.; Penc, B.; Szytula, A.; Journal of Alloys Compd. 320 (2001) 29–32; doi:

data_1526077
_publ_section_title
;
 Magnetic structures and magnetic phase transition in Tb Mn0.33 Ge2
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              29
_journal_page_last               32
_journal_volume                  320
_journal_year                    2001
_chemical_formula_sum            'Ge2 Mn0.33 Tb'
_chemical_name_systematic        'Tb Mn0.33 Ge2'
_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            4
_cell_length_a                   4.1105
_cell_length_b                   15.8682
_cell_length_c                   3.9886
_cell_volume                     260.161
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Gil_JALCEU_2001_1255.cif
_cod_data_source_block           Ge2Mn0.33Tb1
_cod_original_cell_volume        260.1614
_cod_original_formula_sum        'Ge2 Mn0.33 Tb1'
_cod_database_code               1526077
Ueber den H- und A-Typ von La2 (Si2 O7)
Mueller-Bunz, H.; Schleid, T.; Zeitschrift fuer Anorganische und Allgemeine Chemie 626 (2000) 2549–2556; doi:

data_1526078
_publ_section_title
;
 Ueber den H- und A-Typ von La2 (Si2 O7)
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              2549
_journal_page_last               2556
_journal_volume                  626
_journal_year                    2000
_chemical_formula_sum            'La2 O7 Si2'
_chemical_name_systematic        'La2 (Si2 O7)'
_space_group_IT_number           76
_symmetry_space_group_name_Hall  'P 4w'
_symmetry_space_group_name_H-M   'P 41'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   6.8383
_cell_length_b                   6.8383
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