# generated using pymatgen data_Zr5Ta(SiRu)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.57258898 _cell_length_b 7.57328158 _cell_length_c 7.57258888 _cell_angle_alpha 127.82081909 _cell_angle_beta 121.52514274 _cell_angle_gamma 82.17716869 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr5Ta(SiRu)6 _chemical_formula_sum 'Zr5 Ta1 Si6 Ru6' _cell_volume 281.23010018 _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 Zr Zr0 1 0.94804808 0.90792501 0.45987793 1.0 Zr Zr1 1 0.05015828 0.50067501 0.95051673 1.0 Zr Zr2 1 0.52985692 0.51047832 0.48062040 1.0 Zr Zr3 1 0.46972968 0.94591866 0.97618898 1.0 Zr Zr4 1 0.74669524 0.07962680 0.83293256 1.0 Ta Ta5 1 0.25103391 0.08366594 0.33263204 1.0 Si Si6 1 0.73014980 0.49175245 0.26160265 1.0 Si Si7 1 0.27740787 0.50389448 0.72648560 1.0 Si Si8 1 0.66571778 0.17098370 0.50805185 1.0 Si Si9 1 0.32326567 0.83892934 0.49436653 1.0 Si Si10 1 0.16293184 0.17098370 0.00526692 1.0 Si Si11 1 0.84456282 0.83892934 0.01566367 1.0 Ru Ru12 1 0.47498936 0.74889119 0.22383644 1.0 Ru Ru13 1 0.02505375 0.74889019 0.77390183 1.0 Ru Ru14 1 0.89950439 0.25702657 0.40194262 1.0 Ru Ru15 1 0.09486665 0.50110136 0.35015735 1.0 Ru Ru16 1 0.35508395 0.25702657 0.85752218 1.0 Ru Ru17 1 0.65094401 0.50110136 0.90623471 1.0