# generated using pymatgen data_Zr16Ta3NbSi16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.03963354 _cell_length_b 7.03963453 _cell_length_c 12.94125418 _cell_angle_alpha 90.00178205 _cell_angle_beta 89.99818870 _cell_angle_gamma 90.03309287 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr16Ta3NbSi16 _chemical_formula_sum 'Zr16 Ta3 Nb1 Si16' _cell_volume 641.32247356 _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 0.35494820 0.50285851 0.37620497 1.0 Zr Zr1 1 0.85454097 0.99662287 0.37377152 1.0 Zr Zr2 1 0.00288248 0.14557648 0.12619467 1.0 Zr Zr3 1 0.99662387 0.85454197 0.62622848 1.0 Zr Zr4 1 0.64557897 0.49713957 0.87648723 1.0 Zr Zr5 1 0.50285751 0.35494920 0.62379503 1.0 Zr Zr6 1 0.49713657 0.64557897 0.12351177 1.0 Zr Zr7 1 0.14557948 0.00288248 0.87380533 1.0 Zr Zr8 1 0.00067646 0.65116266 0.03413916 1.0 Zr Zr9 1 0.99931107 0.34873296 0.53409594 1.0 Zr Zr10 1 0.65116466 0.00067546 0.96586184 1.0 Zr Zr11 1 0.15143080 0.49927558 0.78440844 1.0 Zr Zr12 1 0.84893737 0.50035319 0.28391023 1.0 Zr Zr13 1 0.49927458 0.15142880 0.21559156 1.0 Zr Zr14 1 0.50035519 0.84893637 0.71608877 1.0 Zr Zr15 1 0.34873396 0.99930907 0.46590406 1.0 Ta Ta16 1 0.82429622 0.17569851 0.75024738 1.0 Ta Ta17 1 0.17569751 0.82429722 0.24975262 1.0 Ta Ta18 1 0.32427374 0.32427474 0.00000100 1.0 Nb Nb19 1 0.67561598 0.67561798 0.50000000 1.0 Si Si20 1 0.05057960 0.70020003 0.43561249 1.0 Si Si21 1 0.95073107 0.29995995 0.93586227 1.0 Si Si22 1 0.70019903 0.05057960 0.56438651 1.0 Si Si23 1 0.20010706 0.45073798 0.18579272 1.0 Si Si24 1 0.80064338 0.54884201 0.68655201 1.0 Si Si25 1 0.45073898 0.20010606 0.81420728 1.0 Si Si26 1 0.54884101 0.80064538 0.31344799 1.0 Si Si27 1 0.29995895 0.95073107 0.06413773 1.0 Si Si28 1 0.85220662 0.79773946 0.82060780 1.0 Si Si29 1 0.14768641 0.20234337 0.32054272 1.0 Si Si30 1 0.79773946 0.85220662 0.17939320 1.0 Si Si31 1 0.29621267 0.64729889 0.57084907 1.0 Si Si32 1 0.70246122 0.35233667 0.07057648 1.0 Si Si33 1 0.64729789 0.29621167 0.42915093 1.0 Si Si34 1 0.35233767 0.70246122 0.92942352 1.0 Si Si35 1 0.20234437 0.14768741 0.67945728 1.0