data_global _chemical_name_mineral 'Weissbergite' loop_ _publ_author_name 'Rey N' 'Jumas J C' 'Olivier-Fourcade J' 'Philippot E' _journal_name_full 'Acta Crystallographica, Section C' _journal_volume 39 _journal_year 1983 _journal_page_first 971 _journal_page_last 974 _publ_section_title ; Sur les composes III-V-VI: Etude structurale du disulfure d'antimoine et de thallium, TlSbS2 ; _database_code_amcsd 0009980 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Tl Sb S2' _cell_length_a 6.123 _cell_length_b 6.293 _cell_length_c 11.838 _cell_angle_alpha 101.34 _cell_angle_beta 98.39 _cell_angle_gamma 103.21 _cell_volume 426.612 _exptl_crystal_density_diffrn 6.076 _symmetry_space_group_name_H-M 'P -1' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Tl1 0.56160 0.30840 0.66190 0.02799 Tl2 0.10560 0.28460 0.91800 0.02850 Sb1 0.59610 0.21630 0.15830 0.02330 Sb2 0.03590 0.21560 0.40700 0.02406 S1 0.41200 0.82000 0.09560 0.02153 S2 0.00100 0.22200 0.17690 0.01900 S3 0.63200 0.22100 0.38060 0.02280 S4 0.98500 0.81100 0.36030 0.02026 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Tl1 0.02860 0.03200 0.03100 0.01200 0.01200 0.00900 Tl2 0.03090 0.03300 0.02680 0.01200 0.01100 0.00400 Sb1 0.02600 0.02800 0.02300 0.01500 0.00900 0.00700 Sb2 0.02400 0.02500 0.02100 0.00400 0.00800 0.00300 S1 0.01900 0.02500 0.02000 0.00500 0.00800 0.00600 S2 0.02200 0.02300 0.02000 0.01000 0.01000 0.00900 S3 0.02600 0.03000 0.01600 0.01600 0.01200 0.00400 S4 0.02100 0.03600 0.01500 0.01500 0.00800 0.00900