data_image0 _chemical_formula_structural TaS2TaS2TaS2TaS2TaS2TaS2Ta _chemical_formula_sum "Ta7 S12" _cell_length_a 5.947532913416017 _cell_length_b 5.950045221623277 _cell_length_c 23.901137200123085 _cell_angle_alpha 90.0 _cell_angle_beta 90.0 _cell_angle_gamma 120.00863018416352 _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 0.6658165763284924 0.29533469232629356 0.3772923448995373 1.0000 S S1 1.0 0.33640561838978184 0.3298852098250121 0.4406203567563206 1.0000 S S2 1.0 0.666181961439571 0.6452167737830569 0.31267975608966064 1.0000 Ta Ta2 1.0 0.3224493898663259 0.3435751380781971 0.6212175142831087 1.0000 S S3 1.0 0.667127795519714 0.3399864443591899 0.6795836103529147 1.0000 S S4 1.0 0.6671251833352567 0.6930348773558569 0.5572693298430758 1.0000 Ta Ta3 1.0 0.9525634475315514 0.9803580272416061 0.3774775289752129 1.0000 S S5 1.0 0.6664433082767508 0.9937360088745684 0.4479177216699492 1.0000 S S6 1.0 0.014076362985203974 0.33490976639217734 0.31665323313407134 1.0000 Ta Ta4 1.0 0.6671722413630781 0.9920512290455971 0.6210250962420132 1.0000 S S7 1.0 0.0008312236043014465 0.008639760696669276 0.686820288614362 1.0000 S S8 1.0 0.01982735521889155 0.3429162033585123 0.558222103337045 1.0000 Ta Ta5 1.0 0.3801509102391234 0.6943478899586512 0.3774869423348416 1.0000 S S9 1.0 0.996307853683539 0.6597451604898659 0.4405520436887737 1.0000 S S10 1.0 0.3182285138424919 0.9868873485030477 0.31654734863247586 1.0000 Ta Ta6 1.0 0.01181374657835077 0.6882331383054983 0.6212458221411965 1.0000 S S11 1.0 0.33359726653221183 0.674989165358378 0.6868189167131121 1.0000 S S12 1.0 0.31428765863062064 0.990077256699427 0.5582538097781928 1.0000 Ta Ta7 1.0 0.6669020084201052 0.33953915204205115 0.5115206811137438 1.0000