# generated using pymatgen data_Ta4PdS8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.69193595 _cell_length_b 6.69193521 _cell_length_c 12.43523311 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000856 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta4PdS8 _chemical_formula_sum 'Ta8 Pd2 S16' _cell_volume 482.26753574 _cell_formula_units_Z 2 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 0.50754719 0.49245281 0.75000000 1.0 Ta Ta1 1 0.01509238 0.50754719 0.25000000 1.0 Ta Ta2 1 0.49245281 0.98490762 0.25000000 1.0 Ta Ta3 1 0.50754719 0.01509238 0.75000000 1.0 Ta Ta4 1 0.98490762 0.49245281 0.75000000 1.0 Ta Ta5 1 0.49245281 0.50754719 0.25000000 1.0 Ta Ta6 1 0.00000000 0.00000000 0.75000000 1.0 Ta Ta7 1 0.00000000 0.00000000 0.25000000 1.0 Pd Pd8 1 0.00000000 0.00000000 0.50000000 1.0 Pd Pd9 1 0.00000000 0.00000000 0.00000000 1.0 S S10 1 0.83084421 0.16915579 0.37240573 1.0 S S11 1 0.83084421 0.66168742 0.37240573 1.0 S S12 1 0.33831258 0.16915579 0.37240573 1.0 S S13 1 0.66168742 0.83084421 0.87240573 1.0 S S14 1 0.16915579 0.33831258 0.62759427 1.0 S S15 1 0.16915579 0.83084421 0.87240573 1.0 S S16 1 0.16915579 0.33831258 0.87240573 1.0 S S17 1 0.83084421 0.16915579 0.12759427 1.0 S S18 1 0.33831258 0.16915579 0.12759427 1.0 S S19 1 0.66168742 0.83084421 0.62759427 1.0 S S20 1 0.33333300 0.66666700 0.11979086 1.0 S S21 1 0.66666700 0.33333300 0.61979086 1.0 S S22 1 0.66666700 0.33333300 0.88020914 1.0 S S23 1 0.33333300 0.66666700 0.38020914 1.0 S S24 1 0.83084421 0.66168742 0.12759427 1.0 S S25 1 0.16915579 0.83084421 0.62759427 1.0