LMucko/crystallography-open-database huggingface dataset:
Structural phase transitions and negative thermal expansion in Sc2(MoO4)(3)
Evans, J. S. O.; Mary, T. A.; International Journal of Inorganic Materials 2 (2000) 143–151; doi:10.1016/S1466-6049(00)00012-X

data_6000140
_publ_section_title
;
 Structural phase transitions and negative thermal expansion in
 Sc2(MoO4)(3)
;
_journal_name_full
;
 International Journal of Inorganic Materials
;
_journal_page_first              143
_journal_page_last               151
_journal_paper_doi               10.1016/S1466-6049(00)00012-X
_journal_volume                  2
_journal_year                    2000
_chemical_formula_sum            'Mo3 O12 Sc2'
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yab'
_space_group_name_H-M_alt        'P 1 21/a 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 125.399
_cell_angle_gamma                90.000
_cell_formula_units_Z            8
_cell_length_a                   16.2271
_cell_length_b                   9.5805
_cell_length_c                   18.9208
_cell_volume                     2397.75
_diffrn_ambient_temperature      50
_cod_depositor_comments
;
 Adding the atomic coordinates, isotropic atomic displacement parameter values
 and space group information after consulting the original publication.

 Antanas Vaitkus,
 2018-06-17
;
_cod_database_code               6000140
The crystal structure of CuNH4PO4.H2O from X-ray powder diffraction data
Ivashkevich, L. S.; Lyakhov, A. S.; Shulga, N. V.; Trifonov, V. A.; Zeitschrift für Kristallographie 215 (2000) 231–234; doi:10.1524/zkri.2000.215.4.231

data_6000141
_publ_section_title
;
 The crystal structure of CuNH4PO4.H2O from X-ray powder diffraction data
;
_journal_coden_ASTM              ZEKRDZ
_journal_issue                   4
_journal_name_full               'Zeitschrift f\"ur Kristallographie'
_journal_page_first              231
_journal_page_last               234
_journal_paper_doi               10.1524/zkri.2000.215.4.231
_journal_volume                  215
_journal_year                    2000
_chemical_formula_sum            'Cu H6 N O5 P'
_space_group_name_H-M_alt        'P 1 21/c 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 94.508
_cell_angle_gamma                90.000
_cell_length_a                   8.6676
_cell_length_b                   7.5312
_cell_length_c                   7.4054
_cell_volume                     481.91
_cod_database_code               6000141
Preparation and crystal structure of Na2Sn2Se5 - a novel chalcogenostannate(IV) with layered complex anions
Klepp, K. O.; Hainz, M.; Zeitschrift Fur Anorganische Und Allgemeine Chemie 626 (2000) 863–866; doi:10.1002/(SICI)1521-3749(200004)626:4<863::AID-ZAAC863>3.0.CO;2-N

data_6000142
_publ_section_title
;
 Preparation and crystal structure of Na2Sn2Se5 - a novel
 chalcogenostannate(IV) with layered complex anions
;
_journal_name_full
'Zeitschrift Fur Anorganische Und Allgemeine Chemie'
_journal_page_first              863
_journal_page_last               866
_journal_paper_doi
10.1002/(SICI)1521-3749(200004)626:4<863::AID-ZAAC863>3.0.CO;2-N
_journal_volume                  626
_journal_year                    2000
_chemical_formula_sum            'Na2 Se5 Sn2'
_space_group_name_H-M_alt        'P b c a'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   13.9520
_cell_length_b                   12.6020
_cell_length_c                   11.5240
_cell_volume                     2026.19
_cod_database_code               6000142
Synthesis and crystal structure of a novel germanate: (NH4)(4)[(GeO2)(3)(GeO1.5F3)(2)] 0.67H(2)O
Conradsson, T.; Zou, X. D.; Dadachov, M. S.; Inorganic Chemistry 39 (2000) 1716–1720; doi:10.1021/ic9911217

data_6000143
_publ_section_title
;
 Synthesis and crystal structure of a novel germanate:
 (NH4)(4)[(GeO2)(3)(GeO1.5F3)(2)] 0.67H(2)O
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1716
_journal_page_last               1720
_journal_paper_doi               10.1021/ic9911217
_journal_volume                  39
_journal_year                    2000
_chemical_formula_sum            'F6 Ge5 H17.34 N4 O9.67'
_space_group_name_H-M_alt        'P b c n'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   7.0065
_cell_length_b                   11.7976
_cell_length_c                   19.5200
_cell_volume                     1613.52
_cod_database_code               6000143
Ternary phosphide Ho2Cu6-xP5-y, its crystal structure, and REm+n(Cu2P3)(m)(Cu4P2)(n) relationship with other rhombohedral rare-earth copper phosphides
Mozharivskyj, Y.; Kuz'ma, Y. B.; Journal of Solid State Chemistry 151 (2000) 150–156; doi:10.1006/jssc.2000.8639

data_6000144
_publ_section_title
;
 Ternary phosphide Ho2Cu6-xP5-y, its crystal structure, and
 REm+n(Cu2P3)(m)(Cu4P2)(n) relationship with other rhombohedral rare-earth
 copper phosphides
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              150
_journal_page_last               156
_journal_paper_doi               10.1006/jssc.2000.8639
_journal_volume                  151
_journal_year                    2000
_chemical_formula_sum            'Cu5.59 Ho2 P4.5'
_space_group_name_H-M_alt        'R -3 m'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_length_a                   3.9760
_cell_length_b                   3.9760
_cell_length_c                   40.5540
_cell_volume                     555.21
_cod_database_code               6000144
Crystallographic properties of I-2-Fe-Iv-Vi(4) magnetic semiconductor compounds
Quintero, M.; Barreto, A.; Grima, P.; Tovar, R.; Quintero, E.; Porras, G. S.; Ruiz, J.; Woolley, J. C.; Lamarche, G.; Lamarche, A. M.; Materials Research Bulletin 34 (1999) 2263–2270; doi:10.1016/S0025-5408(00)00166-5

data_6000145
_publ_section_title
;
 Crystallographic properties of I-2-Fe-Iv-Vi(4) magnetic semiconductor
 compounds
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              2263
_journal_page_last               2270
_journal_paper_doi               10.1016/S0025-5408(00)00166-5
_journal_volume                  34
_journal_year                    1999
_chemical_formula_sum            'C4 Cr N3'
_space_group_name_H-M_alt        'P n m a'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   7.3130
_cell_length_b                   5.4530
_cell_length_c                   10.6400
_cell_volume                     424.30
_cod_database_code               6000145
Complexed palladium oxalates Co0.5H[Pd(C2O4)(2)] 6H(2)O and Zn0.5H[Pd(C2O4)(2)] 6H(2)O: Synthesis, thermal properties, and structure
Mulagaleev, R. F.; Solov'ev, L. A.; Blokhin, A. I.; Kirik, S. D.; Russian Journal of Coordination Chemistry 26 (2000) 205–210; doi:

data_6000146
_publ_section_title
;
 Complexed palladium oxalates Co0.5H[Pd(C2O4)(2)] 6H(2)O and
 Zn0.5H[Pd(C2O4)(2)] 6H(2)O: Synthesis, thermal properties, and structure
;
_journal_name_full               'Russian Journal of Coordination Chemistry'
_journal_page_first              205
_journal_page_last               210
_journal_volume                  26
_journal_year                    2000
_chemical_formula_sum            'C4 H13 Co0.5 O14 Pd'
_space_group_name_H-M_alt        'P 1 21/c 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 96.202
_cell_angle_gamma                90.000
_cell_length_a                   3.5445
_cell_length_b                   15.6610
_cell_length_c                   11.8920
_cell_volume                     656.27
_cod_database_code               6000146
Complexed palladium oxalates Co0.5H[Pd(C2O4)(2)] 6H(2)O and Zn0.5H[Pd(C2O4)(2)] 6H(2)O: Synthesis, thermal properties, and structure
Mulagaleev, R. F.; Solov'ev, L. A.; Blokhin, A. I.; Kirik, S. D.; Russian Journal of Coordination Chemistry 26 (2000) 205–210; doi:

data_6000147
_publ_section_title
;
 Complexed palladium oxalates Co0.5H[Pd(C2O4)(2)] 6H(2)O and
 Zn0.5H[Pd(C2O4)(2)] 6H(2)O: Synthesis, thermal properties, and structure
;
_journal_name_full               'Russian Journal of Coordination Chemistry'
_journal_page_first              205
_journal_page_last               210
_journal_volume                  26
_journal_year                    2000
_chemical_formula_sum            'C4 H13 O14 Pd Zn0.5'
_space_group_name_H-M_alt        'P 1 21/c 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 96.415
_cell_angle_gamma                90.000
_cell_length_a                   3.5429
_cell_length_b                   15.6485
_cell_length_c                   11.9228
_cell_volume                     656.87
_cod_database_code               6000147
Hydrothermal synthesis and crystal structure of a new barium vanadium bronze Ba1+xV8O21 with a tunnel structure
Oka, Y.; Yao, T.; Yamamoto, N.; Journal of Solid State Chemistry 150 (2000) 330–335; doi:10.1006/jssc.1999.8598

data_6000148
_publ_section_title
;
 Hydrothermal synthesis and crystal structure of a new barium vanadium
 bronze Ba1+xV8O21 with a tunnel structure
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              330
_journal_page_last               335
_journal_paper_doi               10.1006/jssc.1999.8598
_journal_volume                  150
_journal_year                    2000
_chemical_formula_sum            'Ba1.13 O21 V8'
_space_group_name_H-M_alt        'C 1 2/m 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.080
_cell_angle_gamma                90.000
_cell_length_a                   15.1440
_cell_length_b                   3.5960
_cell_length_c                   14.9720
_cell_volume                     815.34
_cod_database_code               6000148
Synthesis and crystal structure of the first fully characterized vanadoborate Na-3[B6O9(VO4)]
Touboul, M.; Penin, N.; Nowogrocki, G.; Journal of Solid State Chemistry 150 (2000) 342–346; doi:10.1006/jssc.1999.8600

data_6000149
_publ_section_title
;
 Synthesis and crystal structure of the first fully characterized
 vanadoborate Na-3[B6O9(VO4)]
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              342
_journal_page_last               346
_journal_paper_doi               10.1006/jssc.1999.8600
_journal_volume                  150
_journal_year                    2000
_chemical_formula_sum            'B6 Na3 O13 V'
_space_group_name_H-M_alt        'P 21 21 21'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   7.7230
_cell_length_b                   10.1550
_cell_length_c                   12.5050
_cell_volume                     980.73
_cod_database_code               6000149
Belloite, Cu(OH)Cl, a new mineral from Sierra Gorda, Antofagasta, Chile
Schluter, J.; Klaska, K. H.; Gebhard, G.; Neues Jahrbuch Fur Mineralogie-Monatshefte  (2000) 67–73; doi:

data_6000150
_publ_section_title
;
 Belloite, Cu(OH)Cl, a new mineral from Sierra Gorda, Antofagasta,
 Chile
;
_journal_name_full               'Neues Jahrbuch Fur Mineralogie-Monatshefte'
_journal_page_first              67
_journal_page_last               73
_journal_year                    2000
_chemical_formula_structural     Cu(OH)Cl
_chemical_formula_sum            'Cl Cu H O'
_chemical_name_mineral           Belloite
_space_group_name_H-M_alt        'P 1 21/a 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 115.000
_cell_angle_gamma                90.000
_cell_length_a                   5.5520
_cell_length_b                   6.6680
_cell_length_c                   6.1240
_cell_volume                     205.47
_cod_database_code               6000150
Synthesis and crystal structures of ATi[Nb~6~Cl~18~] compounds (A = K, Rb, Cs, In, Tl)
Nägele, A.; Anokhina, E.; Sitar, J.; Meyer, H. J.; Lachgar, A.; Zeitschrift für Naturforschung B 55 (2000) 139–144; doi:10.1515/znb-2000-0202

data_6000151
_publ_section_title
;
 Synthesis and crystal structures of ATi[Nb~6~Cl~18~] compounds (A = K, Rb,
 Cs, In, Tl)
;
_journal_issue                   2
_journal_name_full               'Zeitschrift f\"ur Naturforschung B'
_journal_page_first              139
_journal_page_last               144
_journal_paper_doi               10.1515/znb-2000-0202
_journal_volume                  55
_journal_year                    2000
_chemical_formula_sum            'Cl18 Nb6 Rb Ti'
_space_group_name_H-M_alt        'R -3'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_length_a                   9.1630
_cell_length_b                   9.1630
_cell_length_c                   25.0140
_cell_volume                     1818.82
_cod_database_code               6000151
Synthesis and crystal structures of ATi[Nb~6~Cl~18~] compounds (A = K, Rb, Cs, In, Tl)
Nägele, A.; Anokhina, E.; Sitar, J.; Meyer, H. J.; Lachgar, A.; Zeitschrift für Naturforschung B 55 (2000) 139–144; doi:10.1515/znb-2000-0202

data_6000152
_publ_section_title
;
 Synthesis and crystal structures of ATi[Nb~6~Cl~18~] compounds (A = K, Rb,
 Cs, In, Tl)
;
_journal_issue                   2
_journal_name_full               'Zeitschrift f\"ur Naturforschung B'
_journal_page_first              139
_journal_page_last               144
_journal_paper_doi               10.1515/znb-2000-0202
_journal_volume                  55
_journal_year                    2000
_space_group_name_H-M_alt        'P -3'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_length_a                   9.1075
_cell_length_b                   9.1075
_cell_length_c                   17.0017
_cell_volume                     1221.30
_cod_database_code               6000152
Crystal structure of a new oxide, Nd2TiMnO6
Nakano, H.; Nakazima, N.; Shirakami, T.; Kamegashira, N.; Materials Research Bulletin 34 (1999) 1851–1858; doi:10.1016/S0025-5408(99)00208-1

data_6000153
_publ_section_title
;
 Crystal structure of a new oxide, Nd2TiMnO6
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              1851
_journal_page_last               1858
_journal_paper_doi               10.1016/S0025-5408(99)00208-1
_journal_volume                  34
_journal_year                    1999
_chemical_formula_sum            'Mn Nd2 O6 Ti'
_space_group_name_H-M_alt        'P n m a'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   5.7145
_cell_length_b                   7.8589
_cell_length_c                   5.5002
_cell_volume                     247.01
_cod_database_code               6000153
Synthesis and crystal structure of the pentahydrated uranyl orthovanadate (UO2)(3)(VO4)(2) 5H(2)O, precursor for the new (UO2)(3)(VO4)(2) uranyl-vanadate
Saadi, M.; Dion, C.; Abraham, F.; Journal of Solid State Chemistry 150 (2000) 72–80; doi:10.1006/jssc.1999.8549

data_6000154
_publ_section_title
;
 Synthesis and crystal structure of the pentahydrated uranyl orthovanadate
 (UO2)(3)(VO4)(2) 5H(2)O, precursor for the new (UO2)(3)(VO4)(2)
 uranyl-vanadate
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              72
_journal_page_last               80
_journal_paper_doi               10.1006/jssc.1999.8549
_journal_volume                  150
_journal_year                    2000
_chemical_formula_sum            'H10 O19 U3 V2'
_space_group_name_H-M_alt        'C m c m'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   17.9780
_cell_length_b                   13.5610
_cell_length_c                   7.1630
_cell_volume                     1746.34
_cod_database_code               6000154
Trimerization of NaC2N3 to Na3C6N9 in the solid: Ab initio crystal structure determination of two polymorphs of NaC2N3 and of Na3C6N9 from X-ray powder diffractometry
Jurgens, B.; Irran, E.; Schneider, J.; Schnick, W.; Inorganic Chemistry 39 (2000) 665–670; doi:10.1021/ic991044f

data_6000155
_publ_section_title
;
 Trimerization of NaC2N3 to Na3C6N9 in the solid: Ab initio crystal
 structure determination of two polymorphs of NaC2N3 and of Na3C6N9 from
 X-ray powder diffractometry
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              665
_journal_page_last               670
_journal_paper_doi               10.1021/ic991044f
_journal_volume                  39
_journal_year                    2000
_chemical_formula_sum            'C2 N3 Na'
_space_group_name_H-M_alt        'P 1 21/n 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 93.496
_cell_angle_gamma                90.000
_cell_length_a                   6.4770
_cell_length_b                   14.9480
_cell_length_c                   3.5725
_cell_volume                     345.24
_cod_database_code               6000155
Trimerization of NaC2N3 to Na3C6N9 in the Solid: Ab Initio Crystal Structure Determination of Two Polymorphs of NaC2N3 and of Na3C6N9 from X-ray Powder Diffractometry
Barbara Jürgens; Elisabeth Irran; Julius Schneider; Wolfgang Schnick; Inorganic Chemistry 39 (2000) 665–670; doi:10.1021/ic991044f

data_6000156
_publ_contact_author
;
 Wolfgang Schnick
 Department Chemie
 Ludwig-Maximilians-Universitaet Muenchen
 Butenandtstr. 5-13 (Haus D)
 D-81377 Munich, Germany
;
_publ_contact_author_email       wsc@cup.uni-muenchen.de
_publ_contact_author_fax         +49/89/2180-7440
_publ_contact_author_phone       +49/89/2180-7439
_publ_section_title
;
Trimerization of NaC2N3 to Na3C6N9 in the Solid: Ab Initio Crystal
Structure Determination of Two Polymorphs of NaC2N3 and of Na3C6N9 from X-ray
Powder Diffractometry
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              665
_journal_page_last               670
_journal_paper_doi               10.1021/ic991044f
_journal_volume                  39
_journal_year                    2000
_chemical_formula_sum            'C2 N3 Na'
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   6.5015(5)
_cell_length_b                   14.951(2)
_cell_length_c                   3.6050(3)
_cell_volume                     350.42(6)
_computing_structure_refinement  GSAS
_pd_block_id                     PHASE_1
_pd_phase_name                   NaC2N3
_refine_ls_goodness_of_fit_all   1.27
_refine_ls_number_parameters     30
_refine_ls_number_restraints     4
_cod_duplicate_entry             4300181
_cod_database_code               6000156
Trimerization of NaC2N3 to Na3C6N9 in the solid: Ab initio crystal structure determination of two polymorphs of NaC2N3 and of Na3C6N9 from X-ray powder diffractometry
Jurgens, B.; Irran, E.; Schneider, J.; Schnick, W.; Inorganic Chemistry 39 (2000) 665–670; doi:10.1021/ic991044f

data_6000157
_publ_section_title
;
 Trimerization of NaC2N3 to Na3C6N9 in the solid: Ab initio crystal
 structure determination of two polymorphs of NaC2N3 and of Na3C6N9 from
 X-ray powder diffractometry
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              665
_journal_page_last               670
_journal_paper_doi               10.1021/ic991044f
_journal_volume                  39
_journal_year                    2000
_chemical_formula_sum            'C6 N9 Na3'
_space_group_name_H-M_alt        'P 1 21/n 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 97.913
_cell_angle_gamma                90.000
_cell_length_a                   11.0482
_cell_length_b                   23.3806
_cell_length_c                   3.5162
_cell_volume                     899.62
_cod_database_code               6000157
Synthesis and crystal structure of a cesium oxo nitrido monotungstate(VI), Cs-7[WN1.5O2.5](2)
Stegen, H.; Jacobs, H.; Zeitschrift Fur Anorganische Und Allgemeine Chemie 626 (2000) 536–539; doi:10.1002/(SICI)1521-3749(200002)626:2<536::AID-ZAAC536>3.0.CO;2-2

data_6000158
_publ_section_title
;
 Synthesis and crystal structure of a cesium oxo nitrido
 monotungstate(VI), Cs-7[WN1.5O2.5](2)
;
_journal_name_full
'Zeitschrift Fur Anorganische Und Allgemeine Chemie'
_journal_page_first              536
_journal_page_last               539
_journal_paper_doi
10.1002/(SICI)1521-3749(200002)626:2<536::AID-ZAAC536>3.0.CO;2-2
_journal_volume                  626
_journal_year                    2000
_chemical_formula_sum            'Cs7 N3 O5 W2'
_space_group_name_H-M_alt        'P 1 21/c 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 91.050
_cell_angle_gamma                90.000
_cell_length_a                   6.7660
_cell_length_b                   11.2050
_cell_length_c                   22.2990
_cell_volume                     1690.27
_cod_database_code               6000158
The Tb-Re-B system: Phase equilibria and crystal structures
Mykhalenko, S. I.; Kuz'ma, Y. B.; Polish Journal of Chemistry 74 (2000) 163–171; doi:

data_6000159
_publ_section_title
;
 The Tb-Re-B system: Phase equilibria and crystal structures
;
_journal_name_full               'Polish Journal of Chemistry'
_journal_page_first              163
_journal_page_last               171
_journal_volume                  74
_journal_year                    2000
_chemical_formula_sum            'B12 Re13 Tb8'
_space_group_name_H-M_alt        'R -3 m'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_length_a                   10.6233
_cell_length_b                   10.6233
_cell_length_c                   14.3180
_cell_volume                     1399.37
_cod_database_code               6000159
Synthesis and structure determination of Rb-2(HSO4)(H2PO4) and Rb-4(HSO4)(3)(H2PO4) by X-ray single crystal and neutron powder diffraction
Stiewe, A.; Sonntag, R.; Troyanov, S. I.; Hansen, T.; Kemnitz, E.; Journal of Solid State Chemistry 149 (2000) 9–15; doi:10.1006/jssc.1999.8468

data_6000160
_publ_section_title
;
 Synthesis and structure determination of Rb-2(HSO4)(H2PO4) and
 Rb-4(HSO4)(3)(H2PO4) by X-ray single crystal and neutron powder
 diffraction
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              9
_journal_page_last               15
_journal_paper_doi               10.1006/jssc.1999.8468
_journal_volume                  149
_journal_year                    2000
_chemical_formula_sum            'H3 O8 P Rb2 S'
_space_group_name_H-M_alt        'P 1 21/n 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 100.470
_cell_angle_gamma                90.000
_cell_length_a                   7.4480
_cell_length_b                   7.5520
_cell_length_c                   7.6320
_cell_volume                     422.13
_diffrn_ambient_temperature      298
_cod_database_code               6000160