# generated using pymatgen data_Nb3GeIrN _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.01038976 _cell_length_b 7.01038976 _cell_length_c 7.01038976 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb3GeIrN _chemical_formula_sum 'Nb12 Ge4 Ir4 N4' _cell_volume 344.52956211 _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 Nb Nb0 1 0.79045203 0.95195211 0.38436612 1.0 Nb Nb1 1 0.70954797 0.04804789 0.88436612 1.0 Nb Nb2 1 0.20954797 0.45195211 0.11563388 1.0 Nb Nb3 1 0.29045203 0.54804789 0.61563388 1.0 Nb Nb4 1 0.95195211 0.38436612 0.79045203 1.0 Nb Nb5 1 0.04804789 0.88436612 0.70954797 1.0 Nb Nb6 1 0.45195211 0.11563388 0.20954797 1.0 Nb Nb7 1 0.54804789 0.61563388 0.29045203 1.0 Nb Nb8 1 0.38436612 0.79045203 0.95195211 1.0 Nb Nb9 1 0.88436612 0.70954797 0.04804789 1.0 Nb Nb10 1 0.11563388 0.20954797 0.45195211 1.0 Nb Nb11 1 0.61563388 0.29045203 0.54804789 1.0 Ge Ge12 1 0.57027971 0.42972029 0.92972029 1.0 Ge Ge13 1 0.42972029 0.92972029 0.57027971 1.0 Ge Ge14 1 0.92972029 0.57027971 0.42972029 1.0 Ge Ge15 1 0.07027971 0.07027971 0.07027971 1.0 Ir Ir16 1 0.17814293 0.82185707 0.32185707 1.0 Ir Ir17 1 0.32185707 0.17814293 0.82185707 1.0 Ir Ir18 1 0.82185707 0.32185707 0.17814293 1.0 Ir Ir19 1 0.67814293 0.67814293 0.67814293 1.0 N N20 1 0.87067614 0.12932386 0.62932386 1.0 N N21 1 0.62932386 0.87067614 0.12932386 1.0 N N22 1 0.12932386 0.62932386 0.87067614 1.0 N N23 1 0.37067614 0.37067614 0.37067614 1.0