# generated using pymatgen data_Zr3TiNbSi3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.83231031 _cell_length_b 7.83231097 _cell_length_c 5.33899761 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999298 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr3TiNbSi3 _chemical_formula_sum 'Zr6 Ti2 Nb2 Si6' _cell_volume 283.64177638 _cell_formula_units_Z 2 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 0.74718928 0.74718928 0.75461856 1.0 Zr Zr1 1 0.25281072 1.00000000 0.75461856 1.0 Zr Zr2 1 1.00000000 0.25281072 0.75461856 1.0 Zr Zr3 1 0.25281072 0.25281072 0.24538144 1.0 Zr Zr4 1 0.74718928 0.00000000 0.24538144 1.0 Zr Zr5 1 0.00000000 0.74718928 0.24538144 1.0 Ti Ti6 1 0.33333300 0.66666700 0.50000000 1.0 Ti Ti7 1 0.66666700 0.33333300 0.50000000 1.0 Nb Nb8 1 0.66666700 0.33333300 0.00000000 1.0 Nb Nb9 1 0.33333300 0.66666700 0.00000000 1.0 Si Si10 1 0.39639886 0.39639886 0.74497378 1.0 Si Si11 1 0.60360114 1.00000000 0.74497378 1.0 Si Si12 1 1.00000000 0.60360114 0.74497378 1.0 Si Si13 1 0.60360114 0.60360114 0.25502622 1.0 Si Si14 1 0.39639886 0.00000000 0.25502622 1.0 Si Si15 1 0.00000000 0.39639886 0.25502622 1.0