# generated using pymatgen data_Ta3CdS6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.82066273 _cell_length_b 5.82066202 _cell_length_c 13.50458533 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000971 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta3CdS6 _chemical_formula_sum 'Ta6 Cd2 S12' _cell_volume 396.23849032 _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 0.33333300 0.66666700 0.25000000 1.0 Ta Ta1 1 0.66666700 0.33333300 0.75000000 1.0 Ta Ta2 1 0.66666700 0.33333300 0.25000000 1.0 Ta Ta3 1 0.33333300 0.66666700 0.75000000 1.0 Ta Ta4 1 0.00000000 0.00000000 0.25000000 1.0 Ta Ta5 1 0.00000000 0.00000000 0.75000000 1.0 Cd Cd6 1 0.00000000 0.00000000 0.50000000 1.0 Cd Cd7 1 0.00000000 0.00000000 0.00000000 1.0 S S8 1 0.33823482 1.00000000 0.13556981 1.0 S S9 1 1.00000000 0.33823482 0.13556981 1.0 S S10 1 0.66176518 0.66176518 0.13556981 1.0 S S11 1 0.33823482 0.33823482 0.63556981 1.0 S S12 1 0.66176518 0.66176518 0.36443019 1.0 S S13 1 0.66176518 0.00000000 0.63556981 1.0 S S14 1 0.00000000 0.66176518 0.63556981 1.0 S S15 1 0.00000000 0.66176518 0.86443019 1.0 S S16 1 0.33823482 0.33823482 0.86443019 1.0 S S17 1 1.00000000 0.33823482 0.36443019 1.0 S S18 1 0.33823482 1.00000000 0.36443019 1.0 S S19 1 0.66176518 0.00000000 0.86443019 1.0