data_global _amcsd_formula_title 'TaS2' loop_ _publ_author_name 'Meetsma A' 'Wiegers G A' 'Haange R J' 'de Boer J L' _journal_name_full 'Acta Crystallographica, Section C' _journal_volume 46 _journal_year 1990 _journal_page_first 1598 _journal_page_last 1599 _publ_section_title ; Structure of 2H-TaS2 ; _database_code_amcsd 0010177 _chemical_formula_sum 'Ta S2' _cell_length_a 3.314 _cell_length_b 3.314 _cell_length_c 12.097 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 115.057 _exptl_crystal_density_diffrn 7.074 _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 Ta 0.00000 0.00000 0.25000 S 0.33333 0.66667 0.12120 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 Ta 0.00340 0.00340 0.00650 0.00170 0.00000 0.00000 S 0.00480 0.00480 0.00680 0.00240 0.00000 0.00000