# generated using pymatgen data_Zr13Ta4Nb3Si16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.97325006 _cell_length_b 6.97062707 _cell_length_c 12.84596400 _cell_angle_alpha 90.13468875 _cell_angle_beta 90.14211640 _cell_angle_gamma 90.01392299 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr13Ta4Nb3Si16 _chemical_formula_sum 'Zr13 Ta4 Nb3 Si16' _cell_volume 624.41199688 _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 0.99845160 0.85245486 0.62531510 1.0 Zr Zr1 1 0.64821799 0.49568052 0.87787605 1.0 Zr Zr2 1 0.50264060 0.35131948 0.62216356 1.0 Zr Zr3 1 0.49972235 0.64702529 0.12457299 1.0 Zr Zr4 1 0.14627781 0.00097543 0.87372906 1.0 Zr Zr5 1 0.00176174 0.65362571 0.03641034 1.0 Zr Zr6 1 0.99841367 0.34600006 0.53000071 1.0 Zr Zr7 1 0.65420065 0.00089852 0.96895705 1.0 Zr Zr8 1 0.15245455 0.49723311 0.78410342 1.0 Zr Zr9 1 0.84557721 0.50066167 0.28222938 1.0 Zr Zr10 1 0.49942302 0.15560827 0.21972061 1.0 Zr Zr11 1 0.50131434 0.84573929 0.71431760 1.0 Zr Zr12 1 0.34463211 0.99978259 0.46426561 1.0 Ta Ta13 1 0.67389339 0.67281404 0.49743934 1.0 Ta Ta14 1 0.82557401 0.17343242 0.74967760 1.0 Ta Ta15 1 0.17253511 0.82973139 0.25112499 1.0 Ta Ta16 1 0.32616941 0.32371667 0.00220507 1.0 Nb Nb17 1 0.35153226 0.50543232 0.37482683 1.0 Nb Nb18 1 0.85281169 0.99537363 0.37397946 1.0 Nb Nb19 1 0.00821615 0.14879822 0.12732814 1.0 Si Si20 1 0.04852738 0.70171388 0.43421078 1.0 Si Si21 1 0.95360359 0.29869401 0.93865305 1.0 Si Si22 1 0.70062904 0.04730229 0.56112753 1.0 Si Si23 1 0.20168180 0.45032226 0.18775792 1.0 Si Si24 1 0.80067914 0.54659357 0.68529600 1.0 Si Si25 1 0.45251913 0.19790432 0.81421128 1.0 Si Si26 1 0.54976642 0.79860216 0.31436295 1.0 Si Si27 1 0.29872698 0.95383296 0.06567575 1.0 Si Si28 1 0.85223835 0.79625360 0.82044621 1.0 Si Si29 1 0.13742704 0.20817625 0.32252688 1.0 Si Si30 1 0.79792893 0.86465807 0.17997481 1.0 Si Si31 1 0.29631386 0.64355564 0.56698270 1.0 Si Si32 1 0.71033308 0.35316050 0.07443785 1.0 Si Si33 1 0.63962157 0.29335878 0.42492078 1.0 Si Si34 1 0.35412631 0.70259168 0.93028471 1.0 Si Si35 1 0.20205570 0.14697455 0.67888890 1.0