data_image0 _chemical_formula_structural TaS2TaS2TaS2TaS2TaS2TaS2Ta2 _chemical_formula_sum "Ta8 S12" _cell_length_a 5.697336040642085 _cell_length_b 5.697333679263706 _cell_length_c 24.66943225493218 _cell_angle_alpha 90.0 _cell_angle_beta 90.0 _cell_angle_gamma 59.999147785320545 _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 2.4889437777109687e-05 0.999960963982495 0.36784562191072395 1.0000 S S1 1.0 0.010785127096904774 0.3332992475765528 0.4347260029811126 1.0000 S S2 1.0 0.9965787313903355 0.33327627434547347 0.30370911144507806 1.0000 Ta Ta2 1.0 3.832029562393612e-05 0.9999723342114776 0.6321554370949132 1.0000 S S3 1.0 0.6559455030661302 0.3333063766553527 0.5652700036180196 1.0000 S S4 1.0 0.6701571324843115 0.33331390348274426 0.6962927862503103 1.0000 Ta Ta3 1.0 0.33336400859462584 0.33328742341783907 0.3667250351167384 1.0000 S S5 1.0 0.33337005827680793 0.6558521358916707 0.4347292636966073 1.0000 S S6 1.0 0.3333632408970245 0.6700861838831865 0.30370721395511896 1.0000 Ta Ta4 1.0 0.3333751401035093 0.33330520725757884 0.6332720760882768 1.0000 S S7 1.0 0.01080053770419676 0.6558819356520016 0.565269451923118 1.0000 S S8 1.0 0.9965687538950233 0.670096271224729 0.6962887079237821 1.0000 Ta Ta5 1.0 0.666710335293449 0.6666174149495517 0.3678438131945955 1.0000 S S9 1.0 0.6559344286098646 0.010721014345979843 0.43472890333160547 1.0000 S S10 1.0 0.6701601643444265 0.9964859253768451 0.30370814912053995 1.0000 Ta Ta6 1.0 0.6667051125681173 0.6666400898452114 0.6321544180199811 1.0000 S S11 1.0 0.3333731083202958 0.010729312394409496 0.5652692099232236 1.0000 S S12 1.0 0.33336292762653263 0.9965121773584926 0.6962896297123244 1.0000 Ta Ta7 1.0 4.832672199479699e-05 0.9999649463170299 0.5000003531712373 1.0000 Ta Ta8 1.0 0.6666978292512085 0.6666329995975631 0.500000998098929 1.0000