# generated using pymatgen data_Nb6Zn6Ir5Rh7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.05894268 _cell_length_b 7.20535452 _cell_length_c 12.16357983 _cell_angle_alpha 90.01070502 _cell_angle_beta 90.00008780 _cell_angle_gamma 90.00007440 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb6Zn6Ir5Rh7 _chemical_formula_sum 'Nb6 Zn6 Ir5 Rh7' _cell_volume 355.73752083 _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 0.00000008 0.50000310 0.99955460 1.0 Nb Nb1 1 0.49999802 0.00016882 0.16682971 1.0 Nb Nb2 1 0.00000319 0.49965111 0.33392807 1.0 Nb Nb3 1 0.50000041 0.00029396 0.50051431 1.0 Nb Nb4 1 0.99999688 0.50008055 0.66635025 1.0 Nb Nb5 1 0.49999761 0.99974907 0.83283750 1.0 Zn Zn6 1 0.99999802 0.99995317 0.99884360 1.0 Zn Zn7 1 0.50000188 0.50120380 0.16727582 1.0 Zn Zn8 1 0.00000056 0.99829228 0.33441365 1.0 Zn Zn9 1 0.50000126 0.50095164 0.50045055 1.0 Zn Zn10 1 0.99999750 0.99979866 0.66668407 1.0 Zn Zn11 1 0.49999856 0.49984510 0.83236988 1.0 Ir Ir12 1 0.49999994 0.24916129 0.99918910 1.0 Ir Ir13 1 0.50000023 0.75010961 0.99902526 1.0 Ir Ir14 1 0.99999998 0.25076887 0.16675932 1.0 Ir Ir15 1 0.00000012 0.74952557 0.16713774 1.0 Ir Ir16 1 0.50000275 0.25076831 0.33454343 1.0 Rh Rh17 1 0.50000177 0.75096647 0.33444065 1.0 Rh Rh18 1 0.99999966 0.24961409 0.50098733 1.0 Rh Rh19 1 0.00000068 0.75035220 0.50073953 1.0 Rh Rh20 1 0.49999888 0.25004844 0.66635020 1.0 Rh Rh21 1 0.49999911 0.74890003 0.66642022 1.0 Rh Rh22 1 0.99999831 0.24973306 0.83216834 1.0 Rh Rh23 1 0.99999958 0.75005783 0.83218489 1.0