# generated using pymatgen data_Hf4TaSi4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.94922230 _cell_length_b 6.94922230 _cell_length_c 12.75121768 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf4TaSi4 _chemical_formula_sum 'Hf16 Ta4 Si16' _cell_volume 615.77785831 _cell_formula_units_Z 4 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 0.49906431 0.15431035 0.53220021 1.0 Hf Hf1 1 0.50093569 0.84568965 0.03220021 1.0 Hf Hf2 1 0.65431035 0.00093569 0.28220021 1.0 Hf Hf3 1 0.34568965 0.99906431 0.78220021 1.0 Hf Hf4 1 0.84568965 0.50093569 0.96779979 1.0 Hf Hf5 1 0.15431035 0.49906431 0.46779979 1.0 Hf Hf6 1 0.00093569 0.65431035 0.71779979 1.0 Hf Hf7 1 0.99906431 0.34568965 0.21779979 1.0 Hf Hf8 1 0.49716150 0.35438134 0.12652591 1.0 Hf Hf9 1 0.50283850 0.64561866 0.62652591 1.0 Hf Hf10 1 0.85438134 0.00283850 0.87652591 1.0 Hf Hf11 1 0.14561866 0.99716150 0.37652591 1.0 Hf Hf12 1 0.64561866 0.50283850 0.37347409 1.0 Hf Hf13 1 0.35438134 0.49716150 0.87347409 1.0 Hf Hf14 1 0.00283850 0.85438134 0.12347409 1.0 Hf Hf15 1 0.99716150 0.14561866 0.62347409 1.0 Ta Ta16 1 0.67495591 0.32504409 0.75000000 1.0 Ta Ta17 1 0.32504409 0.67495591 0.25000000 1.0 Ta Ta18 1 0.82504409 0.82504409 0.50000000 1.0 Ta Ta19 1 0.17495591 0.17495591 0.00000000 1.0 Si Si20 1 0.79652025 0.14703678 0.07143681 1.0 Si Si21 1 0.20347975 0.85296322 0.57143681 1.0 Si Si22 1 0.64703678 0.70347975 0.82143681 1.0 Si Si23 1 0.35296322 0.29652025 0.32143681 1.0 Si Si24 1 0.85296322 0.20347975 0.42856319 1.0 Si Si25 1 0.14703678 0.79652025 0.92856319 1.0 Si Si26 1 0.70347975 0.64703678 0.17856319 1.0 Si Si27 1 0.29652025 0.35296322 0.67856319 1.0 Si Si28 1 0.54799386 0.19830216 0.93554725 1.0 Si Si29 1 0.45200614 0.80169784 0.43554725 1.0 Si Si30 1 0.69830216 0.95200614 0.68554725 1.0 Si Si31 1 0.30169784 0.04799386 0.18554725 1.0 Si Si32 1 0.80169784 0.45200614 0.56445275 1.0 Si Si33 1 0.19830216 0.54799386 0.06445275 1.0 Si Si34 1 0.95200614 0.69830216 0.31445275 1.0 Si Si35 1 0.04799386 0.30169784 0.81445275 1.0