# generated using pymatgen data_Hf18Ta5W3S2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.71580221 _cell_length_b 8.75269605 _cell_length_c 8.62605981 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.14012273 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf18Ta5W3S2 _chemical_formula_sum 'Hf18 Ta5 W3 S2' _cell_volume 569.08529794 _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 Hf Hf0 1 0.19813112 0.80221117 0.44897454 1.0 Hf Hf1 1 0.19813112 0.39592094 0.44897454 1.0 Hf Hf2 1 0.60594207 0.80297153 0.45100893 1.0 Hf Hf3 1 0.80208543 0.19699517 0.55277617 1.0 Hf Hf4 1 0.80208543 0.60508926 0.55277617 1.0 Hf Hf5 1 0.39616708 0.19808304 0.55197241 1.0 Hf Hf6 1 0.80208543 0.19699517 0.94722383 1.0 Hf Hf7 1 0.80208543 0.60508926 0.94722383 1.0 Hf Hf8 1 0.39616708 0.19808304 0.94802759 1.0 Hf Hf9 1 0.19813112 0.80221117 0.05102546 1.0 Hf Hf10 1 0.19813112 0.39592094 0.05102546 1.0 Hf Hf11 1 0.60594207 0.80297153 0.04899107 1.0 Hf Hf12 1 0.54375775 0.45594370 0.25000000 1.0 Hf Hf13 1 0.54375775 0.08781606 0.25000000 1.0 Hf Hf14 1 0.91097304 0.45548652 0.25000000 1.0 Hf Hf15 1 0.45637343 0.54562548 0.75000000 1.0 Hf Hf16 1 0.45637343 0.91074694 0.75000000 1.0 Hf Hf17 1 0.08802972 0.54401486 0.75000000 1.0 Ta Ta18 1 0.88781798 0.11096352 0.25000000 1.0 Ta Ta19 1 0.88781798 0.77685446 0.25000000 1.0 Ta Ta20 1 0.22257910 0.11128955 0.25000000 1.0 Ta Ta21 1 0.10953993 0.88714161 0.75000000 1.0 Ta Ta22 1 0.10953993 0.22239832 0.75000000 1.0 W W23 1 0.77756451 0.88878276 0.75000000 1.0 W W24 1 0.99867597 0.99933749 0.50112456 1.0 W W25 1 0.99867597 0.99933749 0.99887544 1.0 S S26 1 0.33503167 0.66751684 0.25000000 1.0 S S27 1 0.66840734 0.33420317 0.75000000 1.0