# generated using pymatgen data_Zr2Nb3Si4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.88742553 _cell_length_b 6.88742553 _cell_length_c 12.71816575 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2Nb3Si4 _chemical_formula_sum 'Zr8 Nb12 Si16' _cell_volume 603.30692778 _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 0.00099828 0.65855406 0.03192575 1.0 Zr Zr1 1 0.99900172 0.34144594 0.53192575 1.0 Zr Zr2 1 0.65855406 0.00099828 0.96807425 1.0 Zr Zr3 1 0.15855406 0.49900172 0.78192575 1.0 Zr Zr4 1 0.84144594 0.50099828 0.28192575 1.0 Zr Zr5 1 0.49900172 0.15855406 0.21807425 1.0 Zr Zr6 1 0.50099828 0.84144594 0.71807425 1.0 Zr Zr7 1 0.34144594 0.99900172 0.46807425 1.0 Nb Nb8 1 0.34734684 0.50388292 0.37631543 1.0 Nb Nb9 1 0.84734684 0.99611708 0.37368457 1.0 Nb Nb10 1 0.00388292 0.15265316 0.12631543 1.0 Nb Nb11 1 0.99611708 0.84734684 0.62631543 1.0 Nb Nb12 1 0.65265316 0.49611708 0.87631543 1.0 Nb Nb13 1 0.50388292 0.34734684 0.62368457 1.0 Nb Nb14 1 0.49611708 0.65265316 0.12368457 1.0 Nb Nb15 1 0.15265316 0.00388292 0.87368457 1.0 Nb Nb16 1 0.67037810 0.67037810 0.50000000 1.0 Nb Nb17 1 0.82962190 0.17037810 0.75000000 1.0 Nb Nb18 1 0.17037810 0.82962190 0.25000000 1.0 Nb Nb19 1 0.32962190 0.32962190 0.00000000 1.0 Si Si20 1 0.04605424 0.70282963 0.43694612 1.0 Si Si21 1 0.95394576 0.29717037 0.93694612 1.0 Si Si22 1 0.70282963 0.04605424 0.56305388 1.0 Si Si23 1 0.20282963 0.45394576 0.18694612 1.0 Si Si24 1 0.79717037 0.54605424 0.68694612 1.0 Si Si25 1 0.45394576 0.20282963 0.81305388 1.0 Si Si26 1 0.54605424 0.79717037 0.31305388 1.0 Si Si27 1 0.29717037 0.95394576 0.06305388 1.0 Si Si28 1 0.86502645 0.79144992 0.82239662 1.0 Si Si29 1 0.13497355 0.20855008 0.32239662 1.0 Si Si30 1 0.79144992 0.86502645 0.17760338 1.0 Si Si31 1 0.29144992 0.63497355 0.57239662 1.0 Si Si32 1 0.70855008 0.36502645 0.07239662 1.0 Si Si33 1 0.63497355 0.29144992 0.42760338 1.0 Si Si34 1 0.36502645 0.70855008 0.92760338 1.0 Si Si35 1 0.20855008 0.13497355 0.67760338 1.0