# generated using pymatgen data_Hf9Ta3WS _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.73884597 _cell_length_b 8.73884590 _cell_length_c 8.64840066 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000028 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf9Ta3WS _chemical_formula_sum 'Hf18 Ta6 W2 S2' _cell_volume 571.97177390 _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 Hf Hf0 1 0.19786845 0.80213155 0.44805037 1.0 Hf Hf1 1 0.19786845 0.39573790 0.44805037 1.0 Hf Hf2 1 0.60426210 0.80213155 0.44805037 1.0 Hf Hf3 1 0.80213155 0.19786845 0.55194963 1.0 Hf Hf4 1 0.80213155 0.60426210 0.55194963 1.0 Hf Hf5 1 0.39573790 0.19786845 0.55194963 1.0 Hf Hf6 1 0.80213155 0.19786845 0.94805037 1.0 Hf Hf7 1 0.80213155 0.60426210 0.94805037 1.0 Hf Hf8 1 0.39573790 0.19786845 0.94805037 1.0 Hf Hf9 1 0.19786845 0.80213155 0.05194963 1.0 Hf Hf10 1 0.19786845 0.39573790 0.05194963 1.0 Hf Hf11 1 0.60426210 0.80213155 0.05194963 1.0 Hf Hf12 1 0.54420222 0.45579778 0.25000000 1.0 Hf Hf13 1 0.54420222 0.08840644 0.25000000 1.0 Hf Hf14 1 0.91159356 0.45579778 0.25000000 1.0 Hf Hf15 1 0.45579778 0.54420222 0.75000000 1.0 Hf Hf16 1 0.45579778 0.91159356 0.75000000 1.0 Hf Hf17 1 0.08840644 0.54420222 0.75000000 1.0 Ta Ta18 1 0.88834109 0.11165891 0.25000000 1.0 Ta Ta19 1 0.88834109 0.77668118 0.25000000 1.0 Ta Ta20 1 0.22331882 0.11165891 0.25000000 1.0 Ta Ta21 1 0.11165891 0.88834109 0.75000000 1.0 Ta Ta22 1 0.11165891 0.22331882 0.75000000 1.0 Ta Ta23 1 0.77668118 0.88834109 0.75000000 1.0 W W24 1 0.00000000 0.00000000 0.50000000 1.0 W W25 1 0.00000000 0.00000000 0.00000000 1.0 S S26 1 0.33333300 0.66666700 0.25000000 1.0 S S27 1 0.66666700 0.33333300 0.75000000 1.0