LMucko/crystallography-open-database huggingface dataset:
X-ray and Mossbauer studies of Sm2 Fe17-x Crx materials synthesizedby mechanical alloying followed by an appropriate short annealing
Nehdi, I.; Bessais, L.; Djega-Mariadassou, C.; Zarrouk, H.; Abdellaoui, M.; Journal of Alloys Compd. 351 (2003) 24–30; doi:

data_1533221
_publ_section_title
;
 X-ray and Mossbauer studies of Sm2 Fe17-x Crx materials synthesizedby
 mechanical alloying followed by an appropriate short annealing
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              24
_journal_page_last               30
_journal_volume                  351
_journal_year                    2003
_chemical_formula_sum            'Cr1.5 Fe15.5 Sm2'
_chemical_name_systematic        'Sm2 Fe15.5 Cr1.5'
_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                   8.535
_cell_length_b                   8.535
_cell_length_c                   12.442
_cell_volume                     784.924
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Nehdi_JALCEU_2003_738.cif
_cod_data_source_block           Cr1.5Fe15.5Sm2
_cod_original_cell_volume        784.9245
_cod_database_code               1533221
Neutron structural analysis of La1-x Srx Mn O3 - variation of one-electron bandwidth W with hole doping
Xu Sheng; Nakamura, A.; Moritomo, Y.; Ohoyama, K.; Journal of the Physical Society of Japan 72 (2003) 709–712; doi:

data_1533222
_publ_section_title
;
 Neutron structural analysis of La1-x Srx Mn O3 - variation of
 one-electron bandwidth W with hole doping
;
_journal_name_full               'Journal of the Physical Society of Japan'
_journal_page_first              709
_journal_page_last               712
_journal_volume                  72
_journal_year                    2003
_chemical_formula_sum            'La0.92 Mn O3 Sr0.08'
_chemical_name_systematic        '(La0.92 Sr0.08) 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                   5.5386
_cell_length_b                   5.5952
_cell_length_c                   7.7263
_cell_volume                     239.435
_citation_journal_id_ASTM        JUPSAU
_cod_data_source_file            XuSheng_JUPSAU_2003_455.cif
_cod_data_source_block           La0.92Mn1O3Sr0.08
_cod_original_cell_volume        239.4347
_cod_original_sg_symbol_Hall     '-P 2ac 2n (z,x,y)'
_cod_original_formula_sum        'La0.92 Mn1 O3 Sr0.08'
_cod_database_code               1533222
Synthesis and characterization of the new layered perovskite, Na0.10 (V O4)0.45 La Ti O4 * n(H2 O)
Neiner, D.; Golub, V.; Wiley, J.B.; Materials Research Bulletin 39 (2004) 1385–1392; doi:

data_1533223
_publ_section_title
;
 Synthesis and characterization of the new layered perovskite, Na0.10 (V
 O4)0.45 La Ti O4 * n(H2 O)
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              1385
_journal_page_last               1392
_journal_volume                  39
_journal_year                    2004
_chemical_formula_sum            'La O4 Ti V0.45'
_chemical_name_systematic        'Na0.1 (V O)0.45 La (Ti O4) (H2 O)0.6'
_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                   3.7189
_cell_length_b                   3.7189
_cell_length_c                   12.2944
_cell_volume                     170.034
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            Neiner_MRBUAC_2004_1923.cif
_cod_data_source_block           La1O4Ti1V0.45
_cod_original_cell_volume        170.0342
_cod_original_formula_sum        'La1 O4 Ti1 V0.45'
_cod_database_code               1533223
Neutron structural analysis of La1-x Srx Mn O3 - variation of one-electron bandwidth W with hole doping
Xu Sheng; Moritomo, Y.; Ohoyama, K.; Nakamura, A.; Journal of the Physical Society of Japan 72 (2003) 709–712; doi:

data_1533224
_publ_section_title
;
 Neutron structural analysis of La1-x Srx Mn O3 - variation of
 one-electron bandwidth W with hole doping
;
_journal_name_full               'Journal of the Physical Society of Japan'
_journal_page_first              709
_journal_page_last               712
_journal_volume                  72
_journal_year                    2003
_chemical_formula_sum            'La0.9 Mn O3 Sr0.1'
_chemical_name_systematic        '(La0.9 Sr0.1) 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                   5.5368
_cell_length_b                   5.5539
_cell_length_c                   7.7506
_cell_volume                     238.337
_citation_journal_id_ASTM        JUPSAU
_cod_data_source_file            XuSheng_JUPSAU_2003_456.cif
_cod_data_source_block           La0.9Mn1O3Sr0.1
_cod_original_cell_volume        238.3374
_cod_original_sg_symbol_Hall     '-P 2ac 2n (z,x,y)'
_cod_original_formula_sum        'La0.9 Mn1 O3 Sr0.1'
_cod_database_code               1533224
Neutron-diffraction study of Bi2 M O20 single crystals with sillenite structure (M = Si, Si0.995 Mn0.005, Bi0.53 Mn0.47)
Neov, S.; Reehuis, M.; Marinova, V.; Sonntag, R.; Appl. Phys. A 74 (2002) S1016–S1018; doi:

data_1533225
_publ_section_title
;
 Neutron-diffraction study of Bi2 M O20 single crystals with sillenite
 structure (M = Si, Si0.995 Mn0.005, Bi0.53 Mn0.47)
;
_journal_name_full               'Appl. Phys. A'
_journal_page_first              S1016
_journal_page_last               S1018
_journal_volume                  74
_journal_year                    2002
_chemical_formula_sum            'Bi12 O20 Si'
_chemical_name_systematic        'Bi12 Si O20'
_space_group_IT_number           197
_symmetry_space_group_name_Hall  'I 2 2 3'
_symmetry_space_group_name_H-M   'I 2 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.104
_cell_length_b                   10.104
_cell_length_c                   10.104
_cell_volume                     1031.526
_citation_journal_id_ASTM        APAMFC
_cod_data_source_file            Neov_APAMFC_2002_272.cif
_cod_data_source_block           Bi12O20Si1
_cod_original_formula_sum        'Bi12 O20 Si1'
_cod_database_code               1533225
Neutron structural analysis of La1-x Srx Mn O3 - variation of one-electron bandwidth W with hole doping
Xu Sheng; Ohoyama, K.; Moritomo, Y.; Nakamura, A.; Journal of the Physical Society of Japan 72 (2003) 709–712; doi:

data_1533226
_publ_section_title
;
 Neutron structural analysis of La1-x Srx Mn O3 - variation of
 one-electron bandwidth W with hole doping
;
_journal_name_full               'Journal of the Physical Society of Japan'
_journal_page_first              709
_journal_page_last               712
_journal_volume                  72
_journal_year                    2003
_chemical_formula_sum            'La0.88 Mn O3 Sr0.12'
_chemical_name_systematic        '(La0.88 Sr0.12) 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                   5.5349
_cell_length_b                   5.5096
_cell_length_c                   7.7846
_cell_volume                     237.392
_citation_journal_id_ASTM        JUPSAU
_cod_data_source_file            XuSheng_JUPSAU_2003_457.cif
_cod_data_source_block           La0.88Mn1O3Sr0.12
_cod_original_sg_symbol_Hall     '-P 2ac 2n (z,x,y)'
_cod_original_formula_sum        'La0.88 Mn1 O3 Sr0.12'
_cod_database_code               1533226
Neutron-diffraction study of Bi2 M O20 single crystals with sillenite structure (M = Si, Si0.995 Mn0.005, Bi0.53 Mn0.47)
Neov, S.; Marinova, V.; Reehuis, M.; Sonntag, R.; Appl. Phys. A 74 (2002) S1016–S1018; doi:

data_1533227
_publ_section_title
;
 Neutron-diffraction study of Bi2 M O20 single crystals with sillenite
 structure (M = Si, Si0.995 Mn0.005, Bi0.53 Mn0.47)
;
_journal_name_full               'Appl. Phys. A'
_journal_page_first              S1016
_journal_page_last               S1018
_journal_volume                  74
_journal_year                    2002
_chemical_formula_sum            'Bi12 Mn0.005 O20 Si0.995'
_chemical_name_systematic        'Bi12 (Si0.995 Mn0.005) O20'
_space_group_IT_number           197
_symmetry_space_group_name_Hall  'I 2 2 3'
_symmetry_space_group_name_H-M   'I 2 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.109
_cell_length_b                   10.109
_cell_length_c                   10.109
_cell_volume                     1033.058
_citation_journal_id_ASTM        APAMFC
_cod_data_source_file            Neov_APAMFC_2002_273.cif
_cod_data_source_block           Bi12Mn0.005O20Si0.995
_cod_database_code               1533227
Neutron structural analysis of La1-x Srx Mn O3 - variation of one-electron bandwidth W with hole doping
Xu Sheng; Moritomo, Y.; Ohoyama, K.; Nakamura, A.; Journal of the Physical Society of Japan 72 (2003) 709–712; doi:

data_1533228
_publ_section_title
;
 Neutron structural analysis of La1-x Srx Mn O3 - variation of
 one-electron bandwidth W with hole doping
;
_journal_name_full               'Journal of the Physical Society of Japan'
_journal_page_first              709
_journal_page_last               712
_journal_volume                  72
_journal_year                    2003
_chemical_formula_sum            'La0.84 Mn O3.12 Sr0.16'
_chemical_name_systematic        '(La0.84 Sr0.16) Mn O3.12'
_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                   5.5374
_cell_length_b                   5.4959
_cell_length_c                   7.778
_cell_volume                     236.708
_citation_journal_id_ASTM        JUPSAU
_cod_data_source_file            XuSheng_JUPSAU_2003_458.cif
_cod_data_source_block           La0.84Mn1O3.12Sr0.16
_cod_original_cell_volume        236.7078
_cod_original_sg_symbol_Hall     '-P 2ac 2n (z,x,y)'
_cod_original_formula_sum        'La0.84 Mn1 O3.12 Sr0.16'
_cod_database_code               1533228
Neutron-diffraction study of Bi2 M O20 single crystals with sillenite structure (M = Si, Si0.995 Mn0.005, Bi0.53 Mn0.47)
Neov, S.; Marinova, V.; Sonntag, R.; Reehuis, M.; Appl. Phys. A 74 (2002) S1016–S1018; doi:

data_1533229
_publ_section_title
;
 Neutron-diffraction study of Bi2 M O20 single crystals with sillenite
 structure (M = Si, Si0.995 Mn0.005, Bi0.53 Mn0.47)
;
_journal_name_full               'Appl. Phys. A'
_journal_page_first              S1016
_journal_page_last               S1018
_journal_volume                  74
_journal_year                    2002
_chemical_formula_sum            'Bi12.53 Mn0.47 O19.85'
_chemical_name_systematic        'Bi12 (Bi0.53 Mn0.47) O19.85'
_space_group_IT_number           197
_symmetry_space_group_name_Hall  'I 2 2 3'
_symmetry_space_group_name_H-M   'I 2 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.153
_cell_length_b                   10.153
_cell_length_c                   10.153
_cell_volume                     1046.606
_citation_journal_id_ASTM        APAMFC
_cod_data_source_file            Neov_APAMFC_2002_274.cif
_cod_data_source_block           Bi12.53Mn0.47O19.85
_cod_database_code               1533229
Neutron structural analysis of La1-x Srx Mn O3 - variation of one-electron bandwidth W with hole doping
Xu Sheng; Moritomo, Y.; Ohoyama, K.; Nakamura, A.; Journal of the Physical Society of Japan 72 (2003) 709–712; doi:

data_1533230
_publ_section_title
;
 Neutron structural analysis of La1-x Srx Mn O3 - variation of
 one-electron bandwidth W with hole doping
;
_journal_name_full               'Journal of the Physical Society of Japan'
_journal_page_first              709
_journal_page_last               712
_journal_volume                  72
_journal_year                    2003
_chemical_formula_sum            'La0.84 Mn O3 Sr0.16'
_chemical_name_systematic        '(La0.84 Sr0.16) Mn O3'
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-P 3* 2n'
_symmetry_space_group_name_H-M   'R -3 c :R'
_cell_angle_alpha                60.65
_cell_angle_beta                 60.65
_cell_angle_gamma                60.65
_cell_formula_units_Z            2
_cell_length_a                   5.4791
_cell_length_b                   5.4791
_cell_length_c                   5.4791
_cell_volume                     118.016
_citation_journal_id_ASTM        JUPSAU
_cod_data_source_file            XuSheng_JUPSAU_2003_459.cif
_cod_data_source_block           La0.84Mn1O3Sr0.16
_cod_original_cell_volume        118.0157
_cod_original_sg_symbol_Hall     '-R 3 2"c (-y+z,x+z,-x+y+z)'
_cod_original_formula_sum        'La0.84 Mn1 O3 Sr0.16'
_cod_database_code               1533230
A study of the highly crystalline, low-silica, fully hydrated zeolite P ion exchanged with (Mn(2+), Cd(2+), Pb(2+), Sr(2+), Ba(2+)) cations
Nery, J.G.; Mascarenhas, Y.P.; Cheetham, A.K.; Microporous and Mesoporous Materials 57 (2003) 229–248; doi:

data_1533231
_publ_section_title
;
 A study of the highly crystalline, low-silica, fully hydrated zeolite P
 ion exchanged with (Mn(2+), Cd(2+), Pb(2+), Sr(2+), Ba(2+)) cations
;
_journal_name_full               'Microporous and Mesoporous Materials'
_journal_page_first              229
_journal_page_last               248
_journal_volume                  57
_journal_year                    2003
_chemical_formula_sum            'Al8 H32 Mn3.92 O48 Si8'
_chemical_name_systematic        'Mn3.92 (Al8 Si8 O32) (H2 O)16'
_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                 93.24
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   10.0034
_cell_length_b                   10.6181
_cell_length_c                   9.6662
_cell_volume                     1025.075
_citation_journal_id_ASTM        MIMMFJ
_cod_data_source_file            Nery_MIMMFJ_2003_490.cif
_cod_data_source_block           H32Al8Mn3.92O48Si8
_cod_original_formula_sum        'H32 Al8 Mn3.92 O48 Si8'
_cod_database_code               1533231
Synthesis and structural study of sillenite layered phases in the Bi - Cd - O - I system
Yakovleva, E.G.; Kovalev, Yu.G.; Kirik, S.D.; Zhurnal Neorganicheskoi Khimii 47 (2002) 1956–1960; doi:

data_1533232
_publ_section_title
;
 Synthesis and structural study of sillenite layered phases in the Bi - Cd
 - O - I system
;
_journal_name_full               'Zhurnal Neorganicheskoi Khimii'
_journal_page_first              1956
_journal_page_last               1960
_journal_volume                  47
_journal_year                    2002
_chemical_formula_sum            'Bi1.5 Cd0.592 I1.7 O2'
_chemical_name_systematic        '(Bi1.5 Cd0.5) Cd0.092 O2 I1.7'
_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            1
_cell_length_a                   3.9809
_cell_length_b                   3.9809
_cell_length_c                   10.0461
_cell_volume                     159.206
_citation_journal_id_ASTM        ZNOKAQ
_cod_data_source_file            Yakovleva_ZNOKAQ_2002_1168.cif
_cod_data_source_block           Bi1.5Cd0.592I1.7O2
_cod_original_cell_volume        159.2062
_cod_database_code               1533232
Synthesis and structural study of sillenite layered phases in the Bi- Cd - O - I system
Yakovleva, E.G.; Kirik, S.D.; Kovalev, Yu.G.; Zhurnal Neorganicheskoi Khimii 47 (2002) 1956–1960; doi:

data_1533233
_publ_section_title
;
 Synthesis and structural study of sillenite layered phases in the Bi- Cd
 - O - I system
;
_journal_name_full               'Zhurnal Neorganicheskoi Khimii'
_journal_page_first              1956
_journal_page_last               1960
_journal_volume                  47
_journal_year                    2002
_chemical_formula_sum            'Bi Cd I O2'
_chemical_name_systematic        '(Bi Cd) O2 I'
_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                   3.9582
_cell_length_b                   3.9582
_cell_length_c                   13.97
_cell_volume                     218.873
_citation_journal_id_ASTM        ZNOKAQ
_cod_data_source_file            Yakovleva_ZNOKAQ_2002_1169.cif
_cod_data_source_block           Bi1Cd1I1O2
_cod_original_cell_volume        218.8728
_cod_original_formula_sum        'Bi1 Cd1 I1 O2'
_cod_database_code               1533233
Determination of the crystal structure of spherical particles of Sr Al2 O4:Eu prepared by the spray method
Yamada, H.; Shi, W.S.; Nishikubo, K.; Xu, C.N.; Journal of the Electrochemical Society 150 (2003) E251–E254; doi:

data_1533234
_publ_section_title
;
 Determination of the crystal structure of spherical particles of Sr Al2
 O4:Eu prepared by the spray method
;
_journal_name_full               'Journal of the Electrochemical Society'
_journal_page_first              E251
_journal_page_last               E254
_journal_volume                  150
_journal_year                    2003
_chemical_formula_sum            'Al2 Eu0.12 O4 Sr0.88'
_chemical_name_systematic        '(Sr0.88 Eu0.12) (Al2 O4)'
_space_group_IT_number           182
_symmetry_space_group_name_Hall  'P 6c 2c'
_symmetry_space_group_name_H-M   'P 63 2 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   5.1164
_cell_length_b                   5.1164
_cell_length_c                   8.3727
_cell_volume                     189.813
_citation_journal_id_ASTM        JESOAN
_cod_data_source_file            Yamada_JESOAN_2003_375.cif
_cod_data_source_block           Al2Eu0.12O4Sr0.88
_cod_original_cell_volume        189.8126
_cod_database_code               1533234
Crystal structure and electronic and magnetic properties of the bilayered rhodium oxide Sr3 Rh2 O7
Yamaura, K.; Huang, Q.; Young, D.P.; Noguchi, Y.; Takayama-Muromachi, E.; Physical Review, Serie 3. B - Condensed Matter (18,1978-) 66 (2002) 134431-1–134431-7; doi:

data_1533235
_publ_section_title
;
 Crystal structure and electronic and magnetic properties of the bilayered
 rhodium oxide Sr3 Rh2 O7
;
_journal_name_full
'Physical Review, Serie 3. B - Condensed Matter (18,1978-)'
_journal_page_first              134431-1
_journal_page_last               134431-7
_journal_volume                  66
_journal_year                    2002
_chemical_formula_sum            'O7 Rh2 Sr3'
_chemical_name_systematic        'Sr3 Rh2 O7'
_space_group_IT_number           68
_symmetry_space_group_name_Hall  '-B 2ab 2b'
_symmetry_space_group_name_H-M   'B b c b :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.4744
_cell_length_b                   5.4716
_cell_length_c                   20.875
_cell_volume                     625.284
_citation_journal_id_ASTM        PRBMDO
_cod_data_source_file            Yamaura_PRBMDO_2002_600.cif
_cod_data_source_block           O7Rh2Sr3
_cod_original_cell_volume        625.2841
_cod_original_sg_symbol_Hall     '-C 2a 2ac (y,z,x)'
_cod_database_code               1533235
Synthesis, crystal structure and density of (W1-x Alx) C
Yan, J.M.; Zhu, C.J.; Zhao, W.; Ma, X.F.; Tang, H.G.; Journal of Solid State Chemistry 177 (2004) 2265–2270; doi:

data_1533236
_publ_section_title
;
 Synthesis, crystal structure and density of (W1-x Alx) C
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              2265
_journal_page_last               2270
_journal_volume                  177
_journal_year                    2004
_chemical_formula_sum            'C Al0.1 W0.9'
_chemical_name_systematic        '(W0.9 Al0.1) C'
_space_group_IT_number           187
_symmetry_space_group_name_Hall  'P -6 2'
_symmetry_space_group_name_H-M   'P -6 m 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   2.9071
_cell_length_b                   2.9071
_cell_length_c                   2.8371
_cell_volume                     20.765
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Yan_JSSCBI_2004_1758.cif
_cod_data_source_block           C1Al0.1W0.9
_cod_original_cell_volume        20.76468
_cod_original_formula_sum        'C1 Al0.1 W0.9'
_cod_database_code               1533236
Synthesis, crystal structure and density of (W1-x Alx) C
Yan, J.M.; Ma, X.F.; Tang, H.G.; Zhao, W.; Zhu, C.J.; Journal of Solid State Chemistry 177 (2004) 2265–2270; doi:

data_1533237
_publ_section_title
;
 Synthesis, crystal structure and density of (W1-x Alx) C
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              2265
_journal_page_last               2270
_journal_volume                  177
_journal_year                    2004
_chemical_formula_sum            'C Al0.25 W0.75'
_chemical_name_systematic        '(W0.75 Al0.25) C'
_space_group_IT_number           187
_symmetry_space_group_name_Hall  'P -6 2'
_symmetry_space_group_name_H-M   'P -6 m 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   2.9051
_cell_length_b                   2.9051
_cell_length_c                   2.8364
_cell_volume                     20.731
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