data_global _amcsd_formula_title 'FeTi3S6' 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 0013312 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Fe Ti3 S6' _cell_length_a 5.937 _cell_length_b 5.937 _cell_length_c 11.466 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 350.007 _exptl_crystal_density_diffrn 3.718 _symmetry_space_group_name_H-M 'P -3 1 c' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x-y,-y,1/2+z' 'y,-x+y,-z' '-y,-x,1/2-z' '-x+y,-x,z' '-x,-x+y,1/2+z' '-x,-y,-z' '-x+y,y,1/2-z' '-y,x-y,z' 'y,x,1/2+z' 'x-y,x,-z' 'x,x-y,1/2-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Fe1 0.00000 0.00000 0.00000 Ti1 0.33333 0.66667 0.25000 Ti2 0.33333 0.66667 0.00000 S 0.33333 0.00000 0.12500