# generated using pymatgen data_Nb3Ru5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.32665587 _cell_length_b 5.43278364 _cell_length_c 10.51221735 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb3Ru5 _chemical_formula_sum 'Nb6 Ru10' _cell_volume 247.09792277 _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 Nb Nb0 1 0.00000000 0.50000000 0.50000000 1.0 Nb Nb1 1 0.00000000 0.00000000 0.00000000 1.0 Nb Nb2 1 0.50000000 0.85096783 0.35649591 1.0 Nb Nb3 1 0.50000000 0.14903217 0.64350409 1.0 Nb Nb4 1 0.50000000 0.35096783 0.14350409 1.0 Nb Nb5 1 0.50000000 0.64903217 0.85649591 1.0 Ru Ru6 1 0.00000000 0.50000000 0.00000000 1.0 Ru Ru7 1 0.00000000 0.00000000 0.50000000 1.0 Ru Ru8 1 0.00000000 0.62889544 0.26323588 1.0 Ru Ru9 1 0.00000000 0.37110456 0.73676412 1.0 Ru Ru10 1 0.00000000 0.12889544 0.23676412 1.0 Ru Ru11 1 0.00000000 0.87110456 0.76323588 1.0 Ru Ru12 1 0.50000000 0.82524905 0.10770854 1.0 Ru Ru13 1 0.50000000 0.17475095 0.89229146 1.0 Ru Ru14 1 0.50000000 0.32524905 0.39229146 1.0 Ru Ru15 1 0.50000000 0.67475095 0.60770854 1.0