# generated using pymatgen data_Hf8Ta12Be3Si13 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.58206961 _cell_length_b 6.75600229 _cell_length_c 12.89756951 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 89.84781562 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf8Ta12Be3Si13 _chemical_formula_sum 'Hf8 Ta12 Be3 Si13' _cell_volume 573.53325443 _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 0.49973970 0.67122121 0.59745927 1.0 Hf Hf1 1 0.99953547 0.82809817 0.90276666 1.0 Hf Hf2 1 0.50232341 0.33006329 0.09496481 1.0 Hf Hf3 1 0.00228447 0.17357931 0.40341109 1.0 Hf Hf4 1 0.50232341 0.33006329 0.40503519 1.0 Hf Hf5 1 0.00228447 0.17357931 0.09658891 1.0 Hf Hf6 1 0.49973970 0.67122121 0.90254073 1.0 Hf Hf7 1 0.99953547 0.82809817 0.59723334 1.0 Ta Ta8 1 0.65739130 0.17983729 0.62757901 1.0 Ta Ta9 1 0.15864089 0.31958055 0.87267260 1.0 Ta Ta10 1 0.34432991 0.81950696 0.12545569 1.0 Ta Ta11 1 0.83553260 0.67491077 0.37596025 1.0 Ta Ta12 1 0.34432991 0.81950696 0.37454431 1.0 Ta Ta13 1 0.83553260 0.67491077 0.12403975 1.0 Ta Ta14 1 0.65739130 0.17983729 0.87242099 1.0 Ta Ta15 1 0.15864089 0.31958055 0.62732740 1.0 Ta Ta16 1 0.83056866 0.49453113 0.75000000 1.0 Ta Ta17 1 0.33045132 0.00420042 0.75000000 1.0 Ta Ta18 1 0.16806402 0.50411041 0.25000000 1.0 Ta Ta19 1 0.66642211 0.99581739 0.25000000 1.0 Be Be20 1 0.45149180 0.38507925 0.75000000 1.0 Be Be21 1 0.95171569 0.11429880 0.75000000 1.0 Be Be22 1 0.54738022 0.61428767 0.25000000 1.0 Si Si23 1 0.67167520 0.96724645 0.46471631 1.0 Si Si24 1 0.17042726 0.53363856 0.03573421 1.0 Si Si25 1 0.32916493 0.03326834 0.96247822 1.0 Si Si26 1 0.82922199 0.46523138 0.53888444 1.0 Si Si27 1 0.32916493 0.03326834 0.53752178 1.0 Si Si28 1 0.82922199 0.46523138 0.96111556 1.0 Si Si29 1 0.67167520 0.96724645 0.03528369 1.0 Si Si30 1 0.17042726 0.53363856 0.46426579 1.0 Si Si31 1 0.04335989 0.88591570 0.25000000 1.0 Si Si32 1 0.71164851 0.87255497 0.75000000 1.0 Si Si33 1 0.21095547 0.62654444 0.75000000 1.0 Si Si34 1 0.29981942 0.13734964 0.25000000 1.0 Si Si35 1 0.78758963 0.37294261 0.25000000 1.0