data_global _chemical_name_mineral 'Kermesite' loop_ _publ_author_name 'Kupcik V' _journal_name_full 'Naturwissenschaften' _journal_volume 54 _journal_year 1967 _journal_page_first 114 _journal_page_last 114 _publ_section_title ; Die kristallstruktur des kermesits, Sb2S2O ; _database_code_amcsd 0014693 _chemical_formula_sum 'Sb2 S2 O' _cell_length_a 20.971 _cell_length_b 8.16 _cell_length_c 20.378 _cell_angle_alpha 90 _cell_angle_beta 101.5 _cell_angle_gamma 90 _cell_volume 3417.146 _exptl_crystal_density_diffrn 5.033 _symmetry_space_group_name_H-M 'F 1 -1 1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2+y,1/2+z' '1/2+x,y,1/2+z' '1/2+x,1/2+y,z' '-x,-y,-z' '-x,1/2-y,1/2-z' '1/2-x,-y,1/2-z' '1/2-x,1/2-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv SbI 0.10170 0.75030 0.18440 0.01127 SbI* 0.35170 0.00030 0.18440 0.01127 SbII 0.09640 0.24850 0.18490 0.01216 SbII* 0.34640 0.49850 0.18490 0.01216 SbIII 0.19450 0.00040 0.07270 0.01672 SbIII* 0.44450 0.25040 0.07270 0.01672 SbIV 0.19090 0.50220 0.04190 0.01684 SbIV* 0.44090 0.75220 0.04190 0.01684 SI 0.19740 0.26040 0.14820 0.01621 SI* 0.44740 0.51040 0.14820 0.01621 SII 0.20680 0.74770 0.15530 0.01381 SII* 0.45680 0.99770 0.15530 0.01381 SIII 0.07880 0.00310 0.04490 0.01013 SIII* 0.32880 0.25310 0.04490 0.01013 SIV 0.07990 0.48870 0.04610 0.01596 SIV* 0.32990 0.73870 0.04610 0.01596 OI 0.11760 -0.01720 0.21250 0.02267 OI* 0.36760 0.23280 0.21250 0.02267 OII 0.12950 0.47860 0.21560 0.01456 OII* 0.37950 0.72860 0.21560 0.01456