data_image0 _chemical_formula_structural TaSTaS2TaS2TaS _chemical_formula_sum "Ta4 S6" _cell_length_a 3.235500034628221 _cell_length_b 9.879109950911438 _cell_length_c 34.88562313419682 _cell_angle_alpha 90.0 _cell_angle_beta 90.0 _cell_angle_gamma 99.42489617023075 _space_group_name_H-M_alt "P 1" _space_group_IT_number 1 loop_ _space_group_symop_operation_xyz 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ta Ta1 1.0 0.43899881341369135 0.8779976268273851 0.4930925428457605 1.0000 S S1 1.0 0.36320077476304125 0.7264015495260845 0.4351641683911551 1.0000 Ta Ta2 1.0 0.5800355022712836 0.1600710028823056 0.5069074561739841 1.0000 S S2 1.0 0.6558335388697578 0.31166707607925426 0.5648358314885427 1.0000 S S3 1.0 0.022412834977239046 0.044825669954478335 0.45791500666475876 1.0000 Ta Ta3 1.0 0.8111906509134628 0.6223813001666652 0.47882776626184487 1.0000 S S4 1.0 0.6849440570440818 0.3698881124279023 0.46782167849545986 1.0000 S S5 1.0 0.9966214816279005 0.9932429632558013 0.5420849923549859 1.0000 Ta Ta4 1.0 0.20784366374542412 0.41568732749084947 0.5211722339045041 1.0000 S S6 1.0 0.3340902586408933 0.6681805172817884 0.532178321670889 1.0000