data_global _chemical_name_mineral 'Getchellite' loop_ _publ_author_name 'Guillermo T R' 'Wuensch B J' _journal_name_full 'Acta Crystallographica, Section B' _journal_volume 29 _journal_year 1973 _journal_page_first 2536 _journal_page_last 2541 _publ_section_title ; The crystal structure of getchellite, AsSbS3 ; _database_code_amcsd 0009491 _chemical_formula_sum '(As Sb) S3' _cell_length_a 11.8568 _cell_length_b 9.0152 _cell_length_c 10.1938 _cell_angle_alpha 90 _cell_angle_beta 116.365 _cell_angle_gamma 90 _cell_volume 976.290 _exptl_crystal_density_diffrn 3.985 _symmetry_space_group_name_H-M 'P 1 21/a 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2-y,z' '1/2-x,1/2+y,-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv As1 0.12240 0.35810 0.17480 0.48600 0.03711 Sb1 0.12240 0.35810 0.17480 0.51400 0.03711 As2 0.23060 0.72630 0.14290 0.75400 0.04129 Sb2 0.23060 0.72630 0.14290 0.24600 0.04129 As3 0.48490 0.43890 0.31730 0.41300 0.04040 Sb3 0.48490 0.43890 0.31730 0.58700 0.04040 As4 0.82460 0.52250 0.45930 0.34700 0.04091 Sb4 0.82460 0.52250 0.45930 0.65300 0.04091 S1 0.07100 0.61470 0.18050 1.00000 0.03217 S2 0.28300 0.34960 0.42690 1.00000 0.03204 S3 0.38610 0.75560 0.37490 1.00000 0.03863 S4 0.31790 0.51910 0.09130 1.00000 0.03952 S5 0.45060 0.18550 0.23860 1.00000 0.03483 S6 0.63990 0.49280 0.23190 1.00000 0.03242