LMucko/crystallography-open-database huggingface dataset:
Electron density of Ca Ni2 Si2 studied using synchrotron X-ray diffraction and first-principles calculations
Gavoille, G.; Hansen, N.K.; Welter, R.; Krane, H.G.; Malaman, B.; Herzig, P.; Journal of Physics: Condensed Matter 12 (2000) 2667–2679; doi:

data_1521052
_publ_section_title
;
 Electron density of Ca Ni2 Si2 studied using synchrotron X-ray
 diffraction and first-principles calculations
;
_journal_name_full               'Journal of Physics: Condensed Matter'
_journal_page_first              2667
_journal_page_last               2679
_journal_volume                  12
_journal_year                    2000
_chemical_formula_sum            'Ca Ni2 Si2'
_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                   3.987
_cell_length_b                   3.987
_cell_length_c                   9.672
_cell_volume                     153.748
_citation_journal_id_ASTM        JCOMEL
_cod_data_source_file            Gavoille_JCOMEL_2000_1516.cif
_cod_data_source_block           Ca1Ni2Si2
_cod_original_cell_volume        153.7477
_cod_original_formula_sum        'Ca1 Ni2 Si2'
_cod_database_code               1521052
Stapelvarianten aus Sr Pt Sb - und Ca Al2 Si2 - analogen Baubloecken
Frik, L.; Mewis, A.; Zeitschrift fuer Anorganische und Allgemeine Chemie 625 (1999) 126–130; doi:

data_1521053
_publ_section_title
;
 Stapelvarianten aus Sr Pt Sb - und Ca Al2 Si2 - analogen Baubloecken
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              126
_journal_page_last               130
_journal_volume                  625
_journal_year                    1999
_chemical_formula_sum            'Cu2 Eu3 P4 Zn2'
_chemical_name_systematic        'Eu3 Cu2 Zn2 P4'
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   4.15
_cell_length_b                   4.15
_cell_length_c                   15.21
_cell_volume                     226.859
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Frik_ZAACAB_1999_793.cif
_cod_data_source_block           Cu2Eu3P4Zn2
_cod_database_code               1521053
Heats of Formation and Crystal Structures of Some Group 3 Tetrahalides. N (M X4)(c) (N=CsorNa, M=AlorGa, and X=ClorBr) and (C6 H5)4 As) (M Cl4)(c) (M=GaorIn). Donor-Acceptor Bond Energies for M X3-X where M=Al,Ga,In,and X=Cl,Br
Gearhart, R.C.; Wood, R.H.; Beck, J.D.; Inorganic Chemistry 14 (1975) 2413–2416; doi:

data_4343568
_publ_section_title
;
 Heats of Formation and Crystal Structures of Some Group 3 Tetrahalides. N
 (M X4)(c) (N=CsorNa, M=AlorGa, and X=ClorBr) and (C6 H5)4 As) (M Cl4)(c)
 (M=GaorIn). Donor-Acceptor Bond Energies for M X3-X where M=Al,Ga,In,and
 X=Cl,Br
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2413
_journal_page_last               2416
_journal_volume                  14
_journal_year                    1975
_chemical_formula_sum            'Cl4 Cs Ga'
_chemical_name_systematic        'Cs Ga Cl4'
_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                   11.66
_cell_length_b                   7.16
_cell_length_c                   9.41
_cell_volume                     785.599
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Gearhart_INOCAJ_1975_1101.cif
_cod_data_source_block           Cl4Cs1Ga1
_cod_original_cell_volume        785.5994
_cod_original_formula_sum        'Cl4 Cs1 Ga1'
_cod_database_code               4343568
Stapelvarianten aus Sr Pt Sb - und Ca Al2 Si2 - analogen Baubloecken
Frik, L.; Mewis, A.; Zeitschrift fuer Anorganische und Allgemeine Chemie 625 (1999) 126–130; doi:

data_1521054
_publ_section_title
;
 Stapelvarianten aus Sr Pt Sb - und Ca Al2 Si2 - analogen Baubloecken
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              126
_journal_page_last               130
_journal_volume                  625
_journal_year                    1999
_chemical_formula_sum            'Ca2 Cu P3 Zn2'
_chemical_name_systematic        'Ca2 Cu Zn2 P3'
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   4.048
_cell_length_b                   4.048
_cell_length_c                   21.466
_cell_volume                     304.623
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Frik_ZAACAB_1999_794.cif
_cod_data_source_block           Ca2Cu1P3Zn2
_cod_original_formula_sum        'Ca2 Cu1 P3 Zn2'
_cod_database_code               1521054
The crystal structure of a garnet solid solution (Ca0.9 Mg0.1)3 Al2(Si O4)3 at 295 K and 100 K: local site behaviour - dynamic and static disorder
Geiger, C.A.; Armbruster, T.; Zeitschrift fuer Kristallographie (149,1979-) 214 (1999) 211–215; doi:

data_8103507
_publ_section_title
;
 The crystal structure of a garnet solid solution (Ca0.9 Mg0.1)3 Al2(Si
 O4)3 at 295 K and 100 K: local site behaviour - dynamic and static
 disorder
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              211
_journal_page_last               215
_journal_volume                  214
_journal_year                    1999
_chemical_formula_sum            'Al2 Ca2.7 Mg0.3 O12 Si3'
_chemical_name_systematic        '(Ca0.9 Mg0.1)3 Al2 (Si O4)3'
_space_group_IT_number           230
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   11.828
_cell_length_b                   11.828
_cell_length_c                   11.828
_cell_volume                     1654.756
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Geiger_ZEKRDZ_1999_903.cif
_cod_data_source_block           Al2Ca2.7Mg0.3O12Si3
_cod_database_code               8103507
Stapelvarianten aus Sr Pt Sb - und Ca Al2 Si2 - analogen Baubloecken
Frik, L.; Mewis, A.; Zeitschrift fuer Anorganische und Allgemeine Chemie 625 (1999) 126–130; doi:

data_1521055
_publ_section_title
;
 Stapelvarianten aus Sr Pt Sb - und Ca Al2 Si2 - analogen Baubloecken
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              126
_journal_page_last               130
_journal_volume                  625
_journal_year                    1999
_chemical_formula_sum            'Ca4 Cu3 P5 Zn2'
_chemical_name_systematic        'Ca4 Cu3 Zn2 P5'
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   4.041
_cell_length_b                   4.041
_cell_length_c                   37.06
_cell_volume                     524.100
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Frik_ZAACAB_1999_795.cif
_cod_data_source_block           Ca4Cu3P5Zn2
_cod_original_cell_volume        524.0995
_cod_database_code               1521055
Synthese und Kristallstruktur von Mangan(II)- und Zinkamid, Mn (N H2)2 und Zn (N H2)2
Froehling, B.; Kreiner, G.; Jacobs, H.; Zeitschrift fuer Anorganische und Allgemeine Chemie 625 (1999) 211–216; doi:

data_1521056
_publ_section_title
;
 Synthese und Kristallstruktur von Mangan(II)- und Zinkamid, Mn (N H2)2
 und Zn (N H2)2
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              211
_journal_page_last               216
_journal_volume                  625
_journal_year                    1999
_chemical_formula_sum            'H4 N2 Zn'
_chemical_name_systematic        'Zn (N H2)2'
_space_group_IT_number           142
_symmetry_space_group_name_Hall  '-I 4bd 2c'
_symmetry_space_group_name_H-M   'I 41/a c d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            32
_cell_length_a                   9.979
_cell_length_b                   9.979
_cell_length_c                   19.644
_cell_volume                     1956.158
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Froehling_ZAACAB_1999_851.cif
_cod_data_source_block           H4N2Zn1
_cod_original_formula_sum        'H4 N2 Zn1'
_cod_database_code               1521056
Synthese und Kristallstruktur von Mangan(II)- und Zinkamid, Mn (N H2)2 und Zn (N H2)2
Froehling, B.; Kreiner, G.; Jacobs, H.; Zeitschrift fuer Anorganische und Allgemeine Chemie 625 (1999) 211–216; doi:

data_1521057
_publ_section_title
;
 Synthese und Kristallstruktur von Mangan(II)- und Zinkamid, Mn (N H2)2
 und Zn (N H2)2
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              211
_journal_page_last               216
_journal_volume                  625
_journal_year                    1999
_chemical_formula_sum            'H4 Mn N2'
_chemical_name_systematic        'Mn (N H2)2'
_space_group_IT_number           142
_symmetry_space_group_name_Hall  '-I 4bd 2c'
_symmetry_space_group_name_H-M   'I 41/a c d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            32
_cell_length_a                   10.185
_cell_length_b                   10.185
_cell_length_c                   20.349
_cell_volume                     2110.888
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Froehling_ZAACAB_1999_852.cif
_cod_data_source_block           H4Mn1N2
_cod_original_formula_sum        'H4 Mn1 N2'
_cod_database_code               1521057
Refinement of crystal structures at room temperature and structural phase transitions for (N H4)4 H2 (Se O4)3 and (N D4)4 D2 (Se O4)3 crystals
Fukami, T.; Chen, R.-H.; Physica Status Solidi, Sectio B: Basic Research 214 (1999) 219–227; doi:

data_1521058
_publ_section_title
;
 Refinement of crystal structures at room temperature and structural phase
 transitions for (N H4)4 H2 (Se O4)3 and (N D4)4 D2 (Se O4)3 crystals
;
_journal_name_full
'Physica Status Solidi, Sectio B: Basic Research'
_journal_page_first              219
_journal_page_last               227
_journal_volume                  214
_journal_year                    1999
_chemical_formula_sum            'D18 N4 O12 Se3'
_chemical_name_systematic        '(N D4)4 D2 (Se O4)3'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                113.963
_cell_angle_beta                 93.557
_cell_angle_gamma                107.616
_cell_formula_units_Z            2
_cell_length_a                   7.7164
_cell_length_b                   10.3566
_cell_length_c                   10.4956
_cell_volume                     713.863
_citation_journal_id_ASTM        PSSBBD
_cod_data_source_file            Fukami_PSSBBD_1999_733.cif
_cod_data_source_block           D18N4O12Se3
_cod_original_cell_volume        713.8634
_cod_database_code               1521058
Phase transitions in Ba Ce O3 : neutron diffraction and Raman studies
Genet, F.; Loridant, S.; Ritter, C.; Lucazeau, G.; Journal of Physics and Chemistry of Solids 60 (1999) 2009–2021; doi:

data_1521059
_publ_section_title
;
 Phase transitions in Ba Ce O3 : neutron diffraction and Raman studies
;
_journal_name_full               'Journal of Physics and Chemistry of Solids'
_journal_page_first              2009
_journal_page_last               2021
_journal_volume                  60
_journal_year                    1999
_chemical_formula_sum            'Ba Ce O3'
_chemical_name_systematic        'Ba (Ce O3)'
_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                   6.2517
_cell_length_b                   8.7906
_cell_length_c                   6.2271
_cell_volume                     342.218
_citation_journal_id_ASTM        JPCSAW
_cod_data_source_file            Genet_JPCSAW_1999_233.cif
_cod_data_source_block           Ba1Ce1O3
_cod_original_cell_volume        342.2177
_cod_original_formula_sum        'Ba1 Ce1 O3'
_cod_database_code               1521059
High-pressure synthesis and structure of a new silicon clathrate Ba24 Si100
Fukuoka, H.; Yamanaka, S.; Ueno, K.; Journal of Organometallic Chemistry 611 (2000) 543–546; doi:

data_4031165
_publ_section_title
;
 High-pressure synthesis and structure of a new silicon clathrate Ba24
 Si100
;
_journal_name_full               'Journal of Organometallic Chemistry'
_journal_page_first              543
_journal_page_last               546
_journal_volume                  611
_journal_year                    2000
_chemical_formula_sum            'Ba24 Si100'
_space_group_IT_number           213
_symmetry_space_group_name_Hall  'P 4bd 2ab 3'
_symmetry_space_group_name_H-M   'P 41 3 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   14.0685
_cell_length_b                   14.0685
_cell_length_c                   14.0685
_cell_volume                     2784.475
_citation_journal_id_ASTM        JORCAI
_cod_data_source_file            Fukuoka_JORCAI_2000_1594.cif
_cod_data_source_block           Ba24Si100
_cod_database_code               4031165
Preparation and structure of a new germanium clathrate, Ba24 Ge100
Fukuoka, H.; Iwai, K.; Yamanaka, S.; Abe, H.; Yoza, K.; Haeming, L.; Journal of Solid State Chemistry 151 (2000) 117–121; doi:

data_1521060
_publ_section_title
;
 Preparation and structure of a new germanium clathrate, Ba24 Ge100
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              117
_journal_page_last               121
_journal_volume                  151
_journal_year                    2000
_chemical_formula_sum            'Ba24 Ge100'
_space_group_IT_number           213
_symmetry_space_group_name_Hall  'P 4bd 2ab 3'
_symmetry_space_group_name_H-M   'P 41 3 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   14.5635
_cell_length_b                   14.5635
_cell_length_c                   14.5635
_cell_volume                     3088.853
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Fukuoka_JSSCBI_2000_1842.cif
_cod_data_source_block           Ba24Ge100
_cod_original_cell_volume        3088.854
_cod_database_code               1521060
Crystal structure of a layered perovskite niobate K Ca2 Nb3 O10
Fukuoka, H.; Isami, T.; Yamanaka, S.; Journal of Solid State Chemistry 151 (2000) 40–45; doi:

data_1521061
_publ_section_title
;
 Crystal structure of a layered perovskite niobate K Ca2 Nb3 O10
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              40
_journal_page_last               45
_journal_volume                  151
_journal_year                    2000
_chemical_formula_sum            'Ca2 K Nb3 O10'
_chemical_name_systematic        'K Ca2 (Nb3 O10)'
_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                   3.8802
_cell_length_b                   29.508
_cell_length_c                   7.714
_cell_volume                     883.229
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Fukuoka_JSSCBI_2000_1878.cif
_cod_data_source_block           Ca2K1Nb3O10
_cod_original_cell_volume        883.2294
_cod_original_formula_sum        'Ca2 K1 Nb3 O10'
_cod_database_code               1521061
Rietveld refinement of the crystal structure of gamma-(Mo4 O11)
Fun, H.-K.; Yang, P.; Sasaki, M.; Inoue, M.; Kadomatsu, H.; Powder Diffraction 14 (1999) 284–288; doi:

data_1521062
_publ_section_title
;
 Rietveld refinement of the crystal structure of gamma-(Mo4 O11)
;
_journal_name_full               'Powder Diffraction'
_journal_page_first              284
_journal_page_last               288
_journal_volume                  14
_journal_year                    1999
_chemical_formula_sum            'Mo4 O11'
_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                   24.47559
_cell_length_b                   6.7516
_cell_length_c                   5.4572
_cell_volume                     901.799
_citation_journal_id_ASTM        PODIE2
_cod_data_source_file            Fun_PODIE2_1999_691.cif
_cod_data_source_block           Mo4O11
_cod_database_code               1521062
Phase transitions in Ba Ce O3 : neutron diffraction and Raman studies
Genet, F.; Ritter, C.; Loridant, S.; Lucazeau, G.; Journal of Physics and Chemistry of Solids 60 (1999) 2009–2021; doi:

data_1521063
_publ_section_title
;
 Phase transitions in Ba Ce O3 : neutron diffraction and Raman studies
;
_journal_name_full               'Journal of Physics and Chemistry of Solids'
_journal_page_first              2009
_journal_page_last               2021
_journal_volume                  60
_journal_year                    1999
_chemical_formula_sum            'Ba Ce O3'
_chemical_name_systematic        'Ba (Ce 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                60.11
_cell_angle_beta                 60.11
_cell_angle_gamma                60.11
_cell_formula_units_Z            2
_cell_length_a                   6.2514
_cell_length_b                   6.2514
_cell_length_c                   6.2514
_cell_volume                     173.180
_citation_journal_id_ASTM        JPCSAW
_cod_data_source_file            Genet_JPCSAW_1999_234.cif
_cod_data_source_block           Ba1Ce1O3
_cod_original_cell_volume        173.1801
_cod_original_sg_symbol_Hall     '-R 3 2"c (-y+z,x+z,-x+y+z)'
_cod_original_formula_sum        'Ba1 Ce1 O3'
_cod_database_code               1521063
Crystal Structures of K2 Mg Cl4 and Cs2 Mg Cl4
Gibbons, C.S.; Whitla, W.A.; Reinsborough, V.C.; Canadian Journal of Chemistry 53 (1975) 114–118; doi:

data_1521064
_publ_section_title
;
 Crystal Structures of K2 Mg Cl4 and Cs2 Mg Cl4
;
_journal_name_full               'Canadian Journal of Chemistry'
_journal_page_first              114
_journal_page_last               118
_journal_volume                  53
_journal_year                    1975
_chemical_formula_sum            'Cl4 Cs2 Mg'
_chemical_name_systematic        'Cs2 Mg Cl4'
_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                   9.777
_cell_length_b                   7.514
_cell_length_c                   13.234
_cell_volume                     972.228
_citation_journal_id_ASTM        CJCHAG
_cod_data_source_file            Gibbons_CJCHAG_1975_1093.cif
_cod_data_source_block           Cl4Cs2Mg1
_cod_original_cell_volume        972.2276
_cod_original_formula_sum        'Cl4 Cs2 Mg1'
_cod_database_code               1521064
Tetrahedral networks containing beryllium: syntheses and structures of Be3 (P O4)2 . 2(H2 O) and Be (H As O4) . (H2 O)
Gier, T.E.; Bu Xianhui; Harrison, W.T.A.; Stucky, G.D.; Journal of Solid State Chemistry 146 (1999) 394–398; doi:

data_1521065
_publ_section_title
;
 Tetrahedral networks containing beryllium: syntheses and structures of
 Be3 (P O4)2 . 2(H2 O) and Be (H As O4) . (H2 O)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              394
_journal_page_last               398
_journal_volume                  146
_journal_year                    1999
_chemical_formula_sum            'Be3 H4 O10 P2'
_chemical_name_systematic        'Be3 (P O4)2 (H2 O)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                 94.366
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.964
_cell_length_b                   4.5842
_cell_length_c                   9.532
_cell_volume                     695.548
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Gier_JSSCBI_1999_274.cif
_cod_data_source_block           H4Be3O10P2
_cod_original_cell_volume        695.5481
_cod_original_formula_sum        'H4 Be3 O10 P2'
_cod_database_code               1521065
Tetrahedral networks containing beryllium: syntheses and structures of Be3 (P O4)2 . 2(H2 O) and Be (H As O4) . (H2 O)
Gier, T.E.; Stucky, G.D.; Bu Xianhui; Harrison, W.T.A.; Journal of Solid State Chemistry 146 (1999) 394–398; doi:

data_1521066
_publ_section_title
;
 Tetrahedral networks containing beryllium: syntheses and structures of
 Be3 (P O4)2 . 2(H2 O) and Be (H As O4) . (H2 O)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              394
_journal_page_last               398
_journal_volume                  146
_journal_year                    1999
_chemical_formula_sum            'As Be H3 O5'
_chemical_name_systematic        'Be (H As O4) (H2 O)'
_space_group_IT_number           29
_symmetry_space_group_name_Hall  'P 2c -2ac'
_symmetry_space_group_name_H-M   'P c a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.7471
_cell_length_b                   4.6794
_cell_length_c                   8.5929
_cell_volume                     391.927
_citation_journal_id_ASTM        JSSCBI
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