data_global _chemical_name_mineral 'Heideite' 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 0013313 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Fe Ti2 S4' _cell_length_a 5.953 _cell_length_b 3.437 _cell_length_c 11.948 _cell_angle_alpha 90 _cell_angle_beta 90.10 _cell_angle_gamma 90 _cell_volume 244.461 _exptl_crystal_density_diffrn 3.802 _symmetry_space_group_name_H-M 'I 1 2/m 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,1/2+z' 'x,-y,z' '1/2+x,1/2-y,1/2+z' '-x,y,-z' '1/2-x,1/2+y,1/2-z' '-x,-y,-z' '1/2-x,1/2-y,1/2-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Fe 0.00000 0.00000 0.00000 Ti 0.00000 0.00000 0.25000 S1 0.33333 0.00000 0.37500 S2 0.33333 0.00000 0.87500