data_global _chemical_name_mineral 'Ellisite' loop_ _publ_author_name 'Gostojic M' _journal_name_full 'Zeitschrift fur Kristallographie' _journal_volume 151 _journal_year 1980 _journal_page_first 249 _journal_page_last 254 _publ_section_title ; Die kristallstruktur von synthetischem ellisit, Tl3AsS3 Note: anisob's corrected to match reported Biso's ; _database_code_amcsd 0010824 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Tl3 As S3' _cell_length_a 5.9967 _cell_length_b 5.9967 _cell_length_c 5.9967 _cell_angle_alpha 105.87 _cell_angle_beta 105.87 _cell_angle_gamma 105.87 _cell_volume 184.847 _exptl_crystal_density_diffrn 7.045 _symmetry_space_group_name_H-M 'R 3 m' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,z,y' 'z,x,y' 'y,x,z' 'y,z,x' 'z,y,x' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Tl 0.99570 0.99570 0.60880 0.04053 As 0.44580 0.44580 0.44580 0.02254 S 0.43100 0.43100 0.06700 0.03648 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 Tl 0.03574 0.03574 0.04268 0.00781 0.01215 0.01215 As 0.02025 0.02025 0.02025 0.00434 0.00434 0.00434 S 0.03906 0.03906 0.02170 0.01085 0.00651 0.00651