data_global _chemical_name_mineral 'Raguinite' loop_ _publ_author_name 'Welz D' 'Deppe P' 'Schaefer W' 'Sabrowsky H' 'Rosenberg M' _journal_name_full 'Journal of Physics and Chemistry of Solids' _journal_volume 50 _journal_year 1989 _journal_page_first 297 _journal_page_last 308 _publ_section_title ; Magnetism of iron-sulfur tetrahedral frameworks in compounds with thallium I. Chain structures ; _database_code_amcsd 0013236 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Tl Fe S2' _cell_length_a 11.68 _cell_length_b 5.32 _cell_length_c 10.53 _cell_angle_alpha 90 _cell_angle_beta 144.60 _cell_angle_gamma 90 _cell_volume 379.029 _exptl_crystal_density_diffrn 5.684 _symmetry_space_group_name_H-M 'C 1 2/m 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,z' '1/2+x,1/2-y,z' '-x,y,-z' '1/2-x,1/2+y,-z' '-x,-y,-z' '1/2-x,1/2-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Tl 0.03400 0.00000 0.35900 Fe 0.00000 0.25400 0.00000 S1 0.25900 0.00000 0.29900 S2 0.41600 0.00000 0.09200