data_global _amcsd_formula_title 'FeTi4S8' loop_ _publ_author_name 'Takahashi T' 'Yamada O' _journal_name_full 'Journal of Solid State Chemistry' _journal_volume 7 _journal_year 1973 _journal_page_first 25 _journal_page_last 30 _publ_section_title ; Crystallographic and magnetic properties of the Cd(OH)2 layer structure compound TiS2 containing extra iron ; _database_code_amcsd 0013311 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Fe Ti4 S8' _cell_length_a 11.854 _cell_length_b 6.844 _cell_length_c 11.424 _cell_angle_alpha 90 _cell_angle_beta 90.0 _cell_angle_gamma 90 _cell_volume 926.815 _exptl_crystal_density_diffrn 3.611 _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 Fe1 0.00000 0.00000 0.00000 Fe2 0.00000 0.50000 0.50000 Ti1 0.00000 0.00000 0.25000 Ti2 0.50000 0.00000 0.25000 Ti3 0.25000 0.75000 0.25000 S1 0.16700 0.00000 0.12500 S2 0.16700 0.00000 0.62500 S3 0.33333 0.00000 0.37500 S4 0.33333 0.00000 0.87500 S5 0.06300 0.25000 0.37500 S6 0.06300 0.25000 0.87500