# generated using pymatgen data_Nb4Si4Ir3Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.81088900 _cell_length_b 6.44182142 _cell_length_c 7.27926659 _cell_angle_alpha 89.81893010 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb4Si4Ir3Ru _chemical_formula_sum 'Nb4 Si4 Ir3 Ru1' _cell_volume 178.69830659 _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 Nb Nb0 1 0.75000000 0.52372961 0.82721399 1.0 Nb Nb1 1 0.25000000 0.97508124 0.32511068 1.0 Nb Nb2 1 0.75000000 0.01984808 0.67535859 1.0 Nb Nb3 1 0.25000000 0.47927805 0.17255463 1.0 Si Si4 1 0.25000000 0.22659387 0.87628644 1.0 Si Si5 1 0.25000000 0.72744700 0.62605981 1.0 Si Si6 1 0.75000000 0.77383132 0.12048890 1.0 Si Si7 1 0.75000000 0.27057723 0.37691357 1.0 Ir Ir8 1 0.25000000 0.35305416 0.56282311 1.0 Ir Ir9 1 0.75000000 0.64603580 0.43583537 1.0 Ir Ir10 1 0.75000000 0.14883450 0.06396413 1.0 Ru Ru11 1 0.25000000 0.85569013 0.93739179 1.0