# generated using pymatgen data_Zr4NbSi4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.05264595 _cell_length_b 7.05264595 _cell_length_c 12.95023255 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr4NbSi4 _chemical_formula_sum 'Zr16 Nb4 Si16' _cell_volume 644.14216971 _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 Zr Zr0 1 0.35534465 0.50363103 0.37659310 1.0 Zr Zr1 1 0.85534465 0.99636897 0.37340690 1.0 Zr Zr2 1 0.00363103 0.14465535 0.12659310 1.0 Zr Zr3 1 0.99636897 0.85534465 0.62659310 1.0 Zr Zr4 1 0.64465535 0.49636897 0.87659310 1.0 Zr Zr5 1 0.50363103 0.35534465 0.62340690 1.0 Zr Zr6 1 0.49636897 0.64465535 0.12340690 1.0 Zr Zr7 1 0.14465535 0.00363103 0.87340690 1.0 Zr Zr8 1 0.00026663 0.65148505 0.03413171 1.0 Zr Zr9 1 0.99973337 0.34851495 0.53413171 1.0 Zr Zr10 1 0.65148505 0.00026663 0.96586829 1.0 Zr Zr11 1 0.15148505 0.49973337 0.78413171 1.0 Zr Zr12 1 0.84851495 0.50026663 0.28413171 1.0 Zr Zr13 1 0.49973337 0.15148505 0.21586829 1.0 Zr Zr14 1 0.50026663 0.84851495 0.71586829 1.0 Zr Zr15 1 0.34851495 0.99973337 0.46586829 1.0 Nb Nb16 1 0.67573374 0.67573374 0.50000000 1.0 Nb Nb17 1 0.82426626 0.17573374 0.75000000 1.0 Nb Nb18 1 0.17573374 0.82426626 0.25000000 1.0 Nb Nb19 1 0.32426626 0.32426626 0.00000000 1.0 Si Si20 1 0.05024905 0.69973948 0.43640709 1.0 Si Si21 1 0.94975095 0.30026052 0.93640709 1.0 Si Si22 1 0.69973948 0.05024905 0.56359291 1.0 Si Si23 1 0.19973948 0.44975095 0.18640709 1.0 Si Si24 1 0.80026052 0.55024905 0.68640709 1.0 Si Si25 1 0.44975095 0.19973948 0.81359291 1.0 Si Si26 1 0.55024905 0.80026052 0.31359291 1.0 Si Si27 1 0.30026052 0.94975095 0.06359291 1.0 Si Si28 1 0.85262153 0.79580805 0.82097799 1.0 Si Si29 1 0.14737847 0.20419195 0.32097799 1.0 Si Si30 1 0.79580805 0.85262153 0.17902201 1.0 Si Si31 1 0.29580805 0.64737847 0.57097799 1.0 Si Si32 1 0.70419195 0.35262153 0.07097799 1.0 Si Si33 1 0.64737847 0.29580805 0.42902201 1.0 Si Si34 1 0.35262153 0.70419195 0.92902201 1.0 Si Si35 1 0.20419195 0.14737847 0.67902201 1.0