data_global _chemical_name_mineral 'Edgarite' loop_ _publ_author_name 'Anzenhofer K' 'van den Berg J M' 'Cossee P' 'Helle J N' _journal_name_full 'Journal of Physics and Chemistry of Solids' _journal_volume 31 _journal_year 1970 _journal_page_first 1057 _journal_page_last 1067 _publ_section_title ; The crystal structures and magnetic susceptibilities of MnNb3S6, FeNb3S6, CoNb3S6 and NiNb3S6 ; _database_code_amcsd 0013199 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Fe Nb3 S6' _cell_length_a 5.761 _cell_length_b 5.761 _cell_length_c 12.201 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 350.689 _exptl_crystal_density_diffrn 4.990 _symmetry_space_group_name_H-M 'P 63 2 2' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,x-y,1/2-z' 'x-y,x,1/2+z' 'y,x,-z' '-y,x-y,z' '-x+y,y,1/2-z' '-x,-y,1/2+z' '-x,-x+y,-z' '-x+y,-x,z' '-y,-x,1/2-z' 'y,-x+y,1/2+z' 'x-y,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Fe 0.33333 0.66667 0.25000 NbII 0.00000 0.00000 0.00000 NbI 0.33333 0.66667 -0.00110 S 0.33260 0.00220 0.37210 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 Fe 0.02648 0.02648 0.15837 0.01324 0.00000 0.00000 NbII 0.01148 0.01148 0.01659 0.00574 0.00000 0.00000 NbI 0.01148 0.01148 0.01131 0.00574 0.00000 0.00000