data_global _amcsd_formula_title 'Ag0.6NbS2' loop_ _publ_author_name 'Van der Lee A' 'Wiegers A' 'Haange R J' 'de Boer J L' _journal_name_full 'Acta Crystallographica, Section C' _journal_volume 46 _journal_year 1990 _journal_page_first 976 _journal_page_last 979 _publ_section_title ; Structure of Ag0.6NbS2 ; _database_code_amcsd 0010144 _chemical_formula_sum 'Ag.616 Nb S2' _cell_length_a 3.354 _cell_length_b 3.354 _cell_length_c 14.431 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 140.590 _exptl_crystal_density_diffrn 5.279 _symmetry_space_group_name_H-M 'P 63/m m c' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,-x+y,1/2+z' 'x,x-y,1/2-z' '-x+y,-x,1/2-z' 'x-y,x,1/2+z' '-y,-x,z' 'y,x,-z' 'y,-x+y,-z' '-y,x-y,z' 'x-y,-y,1/2+z' '-x+y,y,1/2-z' 'x,y,1/2-z' '-x,-y,1/2+z' 'x,x-y,z' '-x,-x+y,-z' 'x-y,x,-z' '-x+y,-x,z' 'y,x,1/2+z' '-y,-x,1/2-z' '-y,x-y,1/2-z' 'y,-x+y,1/2+z' '-x+y,y,z' 'x-y,-y,-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag 0.33333 0.66667 0.48010 0.30800 Nb 0.33333 0.66667 0.25000 1.00000 S 0.66667 0.33333 0.14277 1.00000 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 Ag 0.04900 0.04900 0.00810 0.09800 0.00000 0.00000 Nb 0.00470 0.00470 0.00740 0.00940 0.00000 0.00000 S 0.00800 0.00800 0.00810 0.01600 0.00000 0.00000