# generated using pymatgen data_Ta3SiTe6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.40547354 _cell_length_b 11.58084383 _cell_length_c 14.65104002 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta3SiTe6 _chemical_formula_sum 'Ta12 Si4 Te24' _cell_volume 1086.82570431 _cell_formula_units_Z 4 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 '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 Ta0 1 0.66644187 0.33651407 0.25000000 1.0 Ta Ta1 1 0.16644187 0.16348593 0.25000000 1.0 Ta Ta2 1 0.83355813 0.83651407 0.75000000 1.0 Ta Ta3 1 0.33355813 0.66348593 0.75000000 1.0 Ta Ta4 1 0.97101031 0.68785889 0.25000000 1.0 Ta Ta5 1 0.47101031 0.81214111 0.25000000 1.0 Ta Ta6 1 0.52898969 0.18785889 0.75000000 1.0 Ta Ta7 1 0.02898969 0.31214111 0.75000000 1.0 Ta Ta8 1 0.69754459 0.03055606 0.25000000 1.0 Ta Ta9 1 0.19754459 0.46944394 0.25000000 1.0 Ta Ta10 1 0.80245541 0.53055606 0.75000000 1.0 Ta Ta11 1 0.30245541 0.96944394 0.75000000 1.0 Si Si12 1 0.57647231 0.57565306 0.25000000 1.0 Si Si13 1 0.07647231 0.92434694 0.25000000 1.0 Si Si14 1 0.92352769 0.07565306 0.75000000 1.0 Si Si15 1 0.42352769 0.42434694 0.75000000 1.0 Te Te16 1 0.79853806 0.84288917 0.12221899 1.0 Te Te17 1 0.29853806 0.65711083 0.37778101 1.0 Te Te18 1 0.70146194 0.34288917 0.87778101 1.0 Te Te19 1 0.20146194 0.15711083 0.62221899 1.0 Te Te20 1 0.20146194 0.15711083 0.87778101 1.0 Te Te21 1 0.70146194 0.34288917 0.62221899 1.0 Te Te22 1 0.29853806 0.65711083 0.12221899 1.0 Te Te23 1 0.79853806 0.84288917 0.37778101 1.0 Te Te24 1 0.85484992 0.49785261 0.12618390 1.0 Te Te25 1 0.35484992 0.00214739 0.37381610 1.0 Te Te26 1 0.64515008 0.99785261 0.87381610 1.0 Te Te27 1 0.14515008 0.50214739 0.62618390 1.0 Te Te28 1 0.14515008 0.50214739 0.87381610 1.0 Te Te29 1 0.64515008 0.99785261 0.62618390 1.0 Te Te30 1 0.35484992 0.00214739 0.12618390 1.0 Te Te31 1 0.85484992 0.49785261 0.37381610 1.0 Te Te32 1 0.84772578 0.18148568 0.12140759 1.0 Te Te33 1 0.34772578 0.31851432 0.37859241 1.0 Te Te34 1 0.65227422 0.68148568 0.87859241 1.0 Te Te35 1 0.15227422 0.81851432 0.62140759 1.0 Te Te36 1 0.15227422 0.81851432 0.87859241 1.0 Te Te37 1 0.65227422 0.68148568 0.62140759 1.0 Te Te38 1 0.34772578 0.31851432 0.12140759 1.0 Te Te39 1 0.84772578 0.18148568 0.37859241 1.0