LMucko/crystallography-open-database huggingface dataset:
Novel oxonium compounds of lanthanoids: synthesis of (H3 O)3 La2 F (As F6)8, and syntheses and crystal structures of (H3 O)8 La2 F (As F6)13 and (H3 O)4 La2 F (As F3)2 (As F6)9
Mazej, Z.; Benkic, P.; Zemva, B.; Lutar, K.; Journal of Fluorine Chemistry 112 (2001) 173–183; doi:

data_1535151
_publ_section_title
;
 Novel oxonium compounds of lanthanoids: synthesis of (H3 O)3 La2 F (As
 F6)8, and syntheses and crystal structures of (H3 O)8 La2 F (As F6)13 and
 (H3 O)4 La2 F (As F3)2 (As F6)9
;
_journal_name_full               'Journal of Fluorine Chemistry'
_journal_page_first              173
_journal_page_last               183
_journal_volume                  112
_journal_year                    2001
_chemical_formula_sum            'As13 F79 H24 La2 O8'
_chemical_name_systematic        '(H3 O)8 La2 F (As F6)13'
_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                 109.31
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.793
_cell_length_b                   28.59
_cell_length_c                   10.68
_cell_volume                     3110.151
_citation_journal_id_ASTM        JFLCAR
_cod_data_source_file            Mazej_JFLCAR_2001_279.cif
_cod_data_source_block           H24As13F79La2O8
_cod_original_formula_sum        'H24 As13 F79 La2 O8'
_cod_database_code               1535151
Reactions of manganese(II) fluoride in the superacidic systems (H F)/(Sb F5) and (H F)/(Ge F4)- crystal structure of Mn (Sb F6)2 and vibrational spectra of Mn Ge F6
Benkic, P.; Mazej, Z.; Zeitschrift fuer Anorganische und Allgemeine Chemie 627 (2001) 1952–1957; doi:

data_1535152
_publ_section_title
;
 Reactions of manganese(II) fluoride in the superacidic systems (H F)/(Sb
 F5) and (H F)/(Ge F4)- crystal structure of Mn (Sb F6)2 and vibrational
 spectra of Mn Ge F6
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1952
_journal_page_last               1957
_journal_volume                  627
_journal_year                    2001
_chemical_formula_sum            'F12 Mn Sb2'
_chemical_name_systematic        'Mn (Sb F6)2'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                73.98
_cell_angle_beta                 89.17
_cell_angle_gamma                62.54
_cell_formula_units_Z            1
_cell_length_a                   5.173
_cell_length_b                   5.549
_cell_length_c                   8.882
_cell_volume                     215.537
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Benkic_ZAACAB_2001_5.cif
_cod_data_source_block           F12Mn1Sb2
_cod_original_cell_volume        215.5373
_cod_original_formula_sum        'F12 Mn1 Sb2'
_cod_database_code               1535152
Crystal structure of catena-(triboro-monohydrogen-phosphate bis(monohydrogenborate)), K3 (B5 P O10 (O H)3)
Hauf, C.; Kniep, R.; Zeitschrift fuer Kristallographie (149,1979-) 211 (1996) 707–708; doi:

data_8103937
_publ_section_title
;
 Crystal structure of catena-(triboro-monohydrogen-phosphate
 bis(monohydrogenborate)), K3 (B5 P O10 (O H)3)
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              707
_journal_page_last               708
_journal_volume                  211
_journal_year                    1996
_chemical_formula_sum            'B5 H3 K3 O13 P'
_chemical_name_systematic        'K3 ((B O2 (O H))2 B3 P O6 (O H))'
_space_group_IT_number           13
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 95.712
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.108
_cell_length_b                   6.682
_cell_length_c                   12.276
_cell_volume                     580.162
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Hauf_ZEKRDZ_1996_1915.cif
_cod_data_source_block           H3B5K3O13P1
_cod_original_cell_volume        580.1616
_cod_original_formula_sum        'H3 B5 K3 O13 P1'
_cod_database_code               8103937
Crystal growth, structure determination and magnetism of a new m=1, n=1 member of the A(3n+3m) A'(n) B(3m+n) O(9m+6n) family of oxides: 12R-Ba12 Rh9.25 Ir1.75 O33
Stitzer, K.E.; zur Loye, H.C.; El Abed, A.; Darriet, J.; Journal of Solid State Chemistry 177 (2004) 1405–1411; doi:

data_1535153
_publ_section_title
;
 Crystal growth, structure determination and magnetism of a new m=1, n=1
 member of the A(3n+3m) A'(n) B(3m+n) O(9m+6n) family of oxides: 12R-Ba12
 Rh9.25 Ir1.75 O33
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1405
_journal_page_last               1411
_journal_volume                  177
_journal_year                    2004
_chemical_formula_sum            'Ba12 Ir1.752 O33 Rh9.248'
_chemical_name_systematic        'Ba12 Rh9.248 Ir1.752 O33'
_space_group_IT_number           155
_symmetry_space_group_name_Hall  'R 3 2"'
_symmetry_space_group_name_H-M   'R 3 2 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   10.0492
_cell_length_b                   10.0492
_cell_length_c                   28.3855
_cell_volume                     2482.505
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Stitzer_JSSCBI_2004_1161.cif
_cod_data_source_block           Ba12Ir1.752O33Rh9.248
_cod_database_code               1535153
Novel oxonium compounds of lanthanoids: synthesis of (H3 O)3 La2 F (As F6)8, and syntheses and crystal structures of (H3 O)8 La2 F (As F6)13 and (H3 O)4 La2 F (As F3)2 (As F6)9
Mazej, Z.; Benkic, P.; Lutar, K.; Zemva, B.; Journal of Fluorine Chemistry 112 (2001) 173–183; doi:

data_1535154
_publ_section_title
;
 Novel oxonium compounds of lanthanoids: synthesis of (H3 O)3 La2 F (As
 F6)8, and syntheses and crystal structures of (H3 O)8 La2 F (As F6)13 and
 (H3 O)4 La2 F (As F3)2 (As F6)9
;
_journal_name_full               'Journal of Fluorine Chemistry'
_journal_page_first              173
_journal_page_last               183
_journal_volume                  112
_journal_year                    2001
_chemical_formula_sum            'As11 F61 H12 La2 O4'
_chemical_name_systematic        '(H3 O)4 La2 F (As F3)2 (As F6)9'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                75.53
_cell_angle_beta                 64.79
_cell_angle_gamma                70.07
_cell_formula_units_Z            1
_cell_length_a                   10.648
_cell_length_b                   10.733
_cell_length_c                   12.139
_cell_volume                     1171.025
_citation_journal_id_ASTM        JFLCAR
_cod_data_source_file            Mazej_JFLCAR_2001_782.cif
_cod_data_source_block           H12As11F61La2O4
_cod_original_formula_sum        'H12 As11 F61 La2 O4'
_cod_database_code               1535154
Synthesis, crystal structure, magnetic properties and spin glass behaviour of the new ternary compound Cr4 Ti Se8
Bensch, W.; Sander, B.; Ritter, C.; Kremer, R.K.; Naether, C.; Solid State Sciences 3 (2001) 559–568; doi:

data_1535155
_publ_section_title
;
 Synthesis, crystal structure, magnetic properties and spin glass
 behaviour of the new ternary compound Cr4 Ti Se8
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              559
_journal_page_last               568
_journal_volume                  3
_journal_year                    2001
_chemical_formula_sum            'Cr4 Se8 Ti'
_chemical_name_systematic        'Cr4 Ti Se8'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y (x-1/2*z,y,1/2*z)'
_symmetry_space_group_name_H-M   'C 1 2/m 1 (a,b,a+2*c)'
_cell_angle_alpha                90
_cell_angle_beta                 91.061
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.3688
_cell_length_b                   7.1808
_cell_length_c                   11.605
_cell_volume                     1030.555
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Bensch_SSSCFJ_2001_104.cif
_cod_data_source_block           Cr4Se8Ti1
_cod_original_formula_sum        'Cr4 Se8 Ti1'
_cod_database_code               1535155
Crystal Structure of lithium catena-(monoboro-mono-dihydrogendiboratemonohydrogenphosph te), Li (B3 P O6 (O H)3)
Hauf, C.; Kniep, R.; Zeitschrift fuer Kristallographie - New Crystal Structures 212 (1997) 313–314; doi:

data_8103938
_publ_section_title
;
 Crystal Structure of lithium
 catena-(monoboro-mono-dihydrogendiboratemonohydrogenphosph te), Li (B3 P
 O6 (O H)3)
;
_journal_name_full
;
Zeitschrift fuer Kristallographie - New Crystal Structures
;
_journal_page_first              313
_journal_page_last               314
_journal_volume                  212
_journal_year                    1997
_chemical_formula_sum            'B3 H3 Li O9 P'
_chemical_name_systematic        'Li (B3 P O6 (O H)3)'
_space_group_IT_number           60
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   11.484
_cell_length_b                   8.719
_cell_length_c                   13.871
_cell_volume                     1388.889
_citation_journal_id_ASTM        ZKNSFT
_cod_data_source_file            Hauf_ZKNSFT_1997_1995.cif
_cod_data_source_block           H3B3Li1O9P1
_cod_original_formula_sum        'H3 B3 Li1 O9 P1'
_cod_database_code               8103938
Crystal growth of Ba2 M Os O6 (M = Li, Na) from reactive hydroxide fluxes
Stitzer, K.E.; Smith, M.D.; zur Loye, H.C.; Solid State Sciences 4 (2002) 311–316; doi:

data_1535156
_publ_section_title
;
 Crystal growth of Ba2 M Os O6 (M = Li, Na) from reactive hydroxide fluxes
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              311
_journal_page_last               316
_journal_volume                  4
_journal_year                    2002
_chemical_formula_sum            'Ba2 Li O6 Os'
_chemical_name_systematic        'Ba2 Li (Os O6)'
_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            4
_cell_length_a                   8.1046
_cell_length_b                   8.1046
_cell_length_c                   8.1046
_cell_volume                     532.347
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Stitzer_SSSCFJ_2002_410.cif
_cod_data_source_block           Ba2Li1O6Os1
_cod_original_cell_volume        532.3469
_cod_original_formula_sum        'Ba2 Li1 O6 Os1'
_cod_database_code               1535156
Structure de pentasulfure de digallium et de dietain, Ga2 Sn2 S5
Mazurier, A.; Thevet, F.; Jaulmes, S.; Acta Crystallographica C (39,1983-) 39 (1983) 814–816; doi:

data_2020143
_publ_section_title
;
 Structure de pentasulfure de digallium et de dietain, Ga2 Sn2 S5
;
_journal_name_full               'Acta Crystallographica C (39,1983-)'
_journal_page_first              814
_journal_page_last               816
_journal_volume                  39
_journal_year                    1983
_chemical_formula_sum            'Ga2 S5 Sn2'
_chemical_name_systematic        'Ga2 Sn2 S5'
_space_group_IT_number           33
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.41
_cell_length_b                   6.22
_cell_length_c                   10.88
_cell_volume                     839.829
_citation_journal_id_ASTM        ACSCEE
_cod_data_source_file            Mazurier_ACSCEE_1983_240.cif
_cod_data_source_block           Ga2S5Sn2
_cod_original_cell_volume        839.8293
_cod_database_code               2020143
A6Nb4S22 (A=Rb and Cs), Compounds with the Tetrameric Complex Anion (Nb4S22)6-: Preparation via the Molten Flux Method and Crystal Structure Determination
Bensch, W.; Duerichen, P.; Zeitschrift fuer Anorganische und Allgemeine Chemie 622 (1996) 1963–1967; doi:

data_1535157
_publ_section_title
;
 A6Nb4S22 (A=Rb and Cs), Compounds with the Tetrameric Complex Anion
 (Nb4S22)6-: Preparation via the Molten Flux Method and Crystal Structure
 Determination
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1963
_journal_page_last               1967
_journal_volume                  622
_journal_year                    1996
_chemical_formula_sum            'Cs6 Nb4 S22'
_chemical_name_systematic        'Cs6 (S2 (Nb2 S10)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                 103.12
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   12.13
_cell_length_b                   8.181
_cell_length_c                   19.534
_cell_volume                     1887.867
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Bensch_ZAACAB_1996_744.cif
_cod_data_source_block           Cs6Nb4S22
_cod_database_code               1535157
Solid state structures of As Cl5 and Sb Cl5
Haupt, S.; Seppelt, K.; Zeitschrift fuer Anorganische und Allgemeine Chemie 628 (2002) 729–734; doi:

data_1535158
_publ_section_title
;
 Solid state structures of As Cl5 and Sb Cl5
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              729
_journal_page_last               734
_journal_volume                  628
_journal_year                    2002
_chemical_formula_sum            'As Cl5'
_space_group_IT_number           59
_symmetry_space_group_name_Hall  '-P 2ab 2a'
_symmetry_space_group_name_H-M   'P m m n :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.0625
_cell_length_b                   7.6029
_cell_length_c                   6.2327
_cell_volume                     334.668
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Haupt_ZAACAB_2002_376.cif
_cod_data_source_block           As1Cl5
_cod_original_cell_volume        334.6678
_cod_original_formula_sum        'As1 Cl5'
_cod_database_code               1535158
Crystal growth of Ba2 M Os O6 (M = Li, Na) from reactive hydroxide fluxes
Stitzer, K.E.; Smith, M.D.; zur Loye, H.C.; Solid State Sciences 4 (2002) 311–316; doi:

data_1535159
_publ_section_title
;
 Crystal growth of Ba2 M Os O6 (M = Li, Na) from reactive hydroxide fluxes
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              311
_journal_page_last               316
_journal_volume                  4
_journal_year                    2002
_chemical_formula_sum            'Ba2 Na O6 Os'
_chemical_name_systematic        'Ba2 Na (Os O6)'
_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            4
_cell_length_a                   8.287
_cell_length_b                   8.287
_cell_length_c                   8.287
_cell_volume                     569.104
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Stitzer_SSSCFJ_2002_411.cif
_cod_data_source_block           Ba2Na1O6Os1
_cod_original_cell_volume        569.1044
_cod_original_formula_sum        'Ba2 Na1 O6 Os1'
_cod_database_code               1535159
The crystal structure of cupric tetrammine sulfate monohydrate, Cu (N H3)4 S O4 H2 O
Mazzi, F.; Acta Crystallographica (1,1948-23,1967) 8 (1955) 137–141; doi:

data_2310816
_publ_section_title
;
 The crystal structure of cupric tetrammine sulfate monohydrate, Cu (N
 H3)4 S O4 H2 O
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              137
_journal_page_last               141
_journal_volume                  8
_journal_year                    1955
_chemical_formula_sum            'Cu H14 N4 O5 S'
_chemical_name_systematic        'Cu (N H3)4 S O4 H2 O'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2n 2a'
_symmetry_space_group_name_H-M   'P m c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.07
_cell_length_b                   12.12
_cell_length_c                   10.66
_cell_volume                     913.438
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Mazzi_ACCRA9_1955_522.cif
_cod_data_source_block           H14Cu1N4O5S1
_cod_original_cell_volume        913.4384
_cod_original_sg_symbol_Hall     '-P 2ac 2n (y,z,x)'
_cod_original_formula_sum        'H14 Cu1 N4 O5 S1'
_cod_database_code               2310816
A6 Nb4 S22 (A= Rb and Cs), Compounds with the tetrameric complex anion (Nb4 S22)6-: Preparation via the molten flux method and crystal structure determination
Bensch, W.; Duerichen, P.; Zeitschrift fuer Anorganische und Allgemeine Chemie 622 (1996) 1963–1967; doi:

data_1535160
_publ_section_title
;
 A6 Nb4 S22 (A= Rb and Cs), Compounds with the tetrameric complex anion
 (Nb4 S22)6-: Preparation via the molten flux method and crystal structure
 determination
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1963
_journal_page_last               1967
_journal_volume                  622
_journal_year                    1996
_chemical_formula_sum            'Nb4 Rb6 S22'
_chemical_name_systematic        'Rb6 (S2 (Nb2 S10)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                 103.97
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.793
_cell_length_b                   8.013
_cell_length_c                   19.142
_cell_volume                     1755.365
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Bensch_ZAACAB_1996_745.cif
_cod_data_source_block           Nb4Rb6S22
_cod_database_code               1535160
Solid state structures of As Cl5 and Sb Cl5
Haupt, S.; Seppelt, K.; Zeitschrift fuer Anorganische und Allgemeine Chemie 628 (2002) 729–734; doi:

data_1535161
_publ_section_title
;
 Solid state structures of As Cl5 and Sb Cl5
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              729
_journal_page_last               734
_journal_volume                  628
_journal_year                    2002
_chemical_formula_sum            'As2 Cl9 H5 O3'
_chemical_name_systematic        '((H5 O2) (As Cl6)) (As O Cl3)'
_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                 100.208
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.716
_cell_length_b                   9.045
_cell_length_c                   21.407
_cell_volume                     1470.372
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Haupt_ZAACAB_2002_377.cif
_cod_data_source_block           H5As2Cl9O3
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_original_formula_sum        'H5 As2 Cl9 O3'
_cod_database_code               1535161
High-throughput investigation in the synthesis of the alluaudite-type manganese arsenate: Ag Mn3 (As O4) (H As O4)2
Stock, N.; Bein, T.; Solid State Sciences 5 (2003) 1207–1210; doi:

data_1535162
_publ_section_title
;
 High-throughput investigation in the synthesis of the alluaudite-type
 manganese arsenate: Ag Mn3 (As O4) (H As O4)2
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              1207
_journal_page_last               1210
_journal_volume                  5
_journal_year                    2003
_chemical_formula_sum            'Ag As3 H2 Mn3 O12'
_chemical_name_systematic        'Ag Mn3 (As O4) (H As O4)2'
_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                 113.574
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.3966
_cell_length_b                   12.7069
_cell_length_c                   6.8904
_cell_volume                     994.810
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Stock_SSSCFJ_2003_1022.cif
_cod_data_source_block           H2Ag1As3Mn3O12
_cod_original_cell_volume        994.8099
_cod_original_formula_sum        'H2 Ag1 As3 Mn3 O12'
_cod_database_code               1535162
Crystal Structure and Low-Temperature Crystal Spectra of Dicesium trans-Dichlorotetraaquotitanium(III) Chloride
McCarthy, P.J.; Richardson, M.F.; Inorganic Chemistry 22 (1983) 2979–2982; doi:

data_4344246
_publ_section_title
;
 Crystal Structure and Low-Temperature Crystal Spectra of Dicesium
 trans-Dichlorotetraaquotitanium(III) Chloride
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2979
_journal_page_last               2982
_journal_volume                  22
_journal_year                    1983
_chemical_formula_sum            'Cl5 Cs2 H8 O4 Ti'
_chemical_name_systematic        'Cs2 (Ti Cl2 (H2 O)4) Cl3'
_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                 116.44
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.565
_cell_length_b                   9.3077
_cell_length_c                   9.2813
_cell_volume                     739.867
_citation_journal_id_ASTM        INOCAJ
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