# generated using pymatgen data_Ta8(CuS8)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.42696889 _cell_length_b 9.62368759 _cell_length_c 21.66510874 _cell_angle_alpha 89.49460957 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta8(CuS8)3 _chemical_formula_sum 'Ta8 Cu3 S24' _cell_volume 714.48917927 _cell_formula_units_Z 1 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 0.75000000 0.44840164 0.18400125 1.0 Ta Ta1 1 0.75000000 0.94707778 0.31586323 1.0 Ta Ta2 1 0.25000000 0.55290536 0.81639966 1.0 Ta Ta3 1 0.25000000 0.05198968 0.68680904 1.0 Ta Ta4 1 0.75000000 0.33973849 0.95729298 1.0 Ta Ta5 1 0.75000000 0.83073999 0.54208263 1.0 Ta Ta6 1 0.25000000 0.66899803 0.04236291 1.0 Ta Ta7 1 0.25000000 0.16184838 0.45850353 1.0 Cu Cu8 1 0.75000000 0.67835053 0.72989685 1.0 Cu Cu9 1 0.25000000 0.82147446 0.23013437 1.0 Cu Cu10 1 0.25000000 0.32098525 0.27004848 1.0 S S11 1 0.75000000 0.48288656 0.06010361 1.0 S S12 1 0.75000000 0.97691185 0.43966466 1.0 S S13 1 0.25000000 0.52648163 0.94194023 1.0 S S14 1 0.25000000 0.01520253 0.55806832 1.0 S S15 1 0.75000000 0.21716209 0.66493671 1.0 S S16 1 0.75000000 0.72777987 0.83251965 1.0 S S17 1 0.25000000 0.77137742 0.33262528 1.0 S S18 1 0.25000000 0.27349824 0.16749215 1.0 S S19 1 0.75000000 0.36933125 0.83843024 1.0 S S20 1 0.75000000 0.86149427 0.66261327 1.0 S S21 1 0.25000000 0.63775734 0.16381558 1.0 S S22 1 0.25000000 0.13530189 0.33633523 1.0 S S23 1 0.75000000 0.47185178 0.28875038 1.0 S S24 1 0.75000000 0.97302522 0.21099001 1.0 S S25 1 0.25000000 0.52635566 0.71220651 1.0 S S26 1 0.25000000 0.03114689 0.78628299 1.0 S S27 1 0.75000000 0.34469043 0.42898792 1.0 S S28 1 0.75000000 0.85140971 0.07183743 1.0 S S29 1 0.25000000 0.64778706 0.57242852 1.0 S S30 1 0.25000000 0.15806903 0.92675264 1.0 S S31 1 0.75000000 0.29575290 0.52137842 1.0 S S32 1 0.75000000 0.80654962 0.97999237 1.0 S S33 1 0.25000000 0.69357372 0.48034737 1.0 S S34 1 0.25000000 0.20024746 0.01902561 1.0