# generated using pymatgen data_Ta3RhS6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.76051105 _cell_length_b 5.76051105 _cell_length_c 12.07997756 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000679 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta3RhS6 _chemical_formula_sum 'Ta6 Rh2 S12' _cell_volume 347.15126952 _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 -0.00000000 -0.00000000 0.50000000 1.0 Ta Ta1 1 -0.00000000 -0.00000000 0.00000000 1.0 Ta Ta2 1 0.33333300 0.66666700 0.99641745 1.0 Ta Ta3 1 0.66666700 0.33333300 0.00358255 1.0 Ta Ta4 1 0.66666700 0.33333300 0.49641745 1.0 Ta Ta5 1 0.33333300 0.66666700 0.50358255 1.0 Rh Rh6 1 0.33333300 0.66666700 0.25000000 1.0 Rh Rh7 1 0.66666700 0.33333300 0.75000000 1.0 S S8 1 0.33255175 0.33061594 0.37021971 1.0 S S9 1 0.66938406 0.00193682 0.37021971 1.0 S S10 1 0.99806318 0.66744825 0.37021971 1.0 S S11 1 0.33061594 0.33255175 0.62978029 1.0 S S12 1 0.00193682 0.66938406 0.62978029 1.0 S S13 1 0.66744825 0.99806318 0.62978029 1.0 S S14 1 0.66744825 0.66938406 0.87021971 1.0 S S15 1 0.33061594 0.99806318 0.87021971 1.0 S S16 1 0.00193682 0.33255175 0.87021971 1.0 S S17 1 0.66938406 0.66744825 0.12978029 1.0 S S18 1 0.99806318 0.33061594 0.12978029 1.0 S S19 1 0.33255175 0.00193682 0.12978029 1.0