# generated using pymatgen data_Nd20IrPd6Ru5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.28507535 _cell_length_b 11.28507518 _cell_length_c 6.60307475 _cell_angle_alpha 90.02049948 _cell_angle_beta 90.02049928 _cell_angle_gamma 90.39359133 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd20IrPd6Ru5 _chemical_formula_sum 'Nd20 Ir1 Pd6 Ru5' _cell_volume 840.90092527 _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 Nd Nd0 1 0.08623064 0.30095276 0.13149686 1.0 Nd Nd1 1 0.79428454 0.41137422 0.12125794 1.0 Nd Nd2 1 0.20399220 0.59530544 0.12907472 1.0 Nd Nd3 1 0.91831471 0.70479044 0.13280791 1.0 Nd Nd4 1 0.40469456 0.79600780 0.37092528 1.0 Nd Nd5 1 0.58862578 0.20571546 0.37874206 1.0 Nd Nd6 1 0.29520956 0.08168529 0.36719209 1.0 Nd Nd7 1 0.69904724 0.91376936 0.36850314 1.0 Nd Nd8 1 0.41888021 0.20347659 0.86768213 1.0 Nd Nd9 1 0.70433445 0.09332754 0.87179566 1.0 Nd Nd10 1 0.29308838 0.91085904 0.87835622 1.0 Nd Nd11 1 0.58509357 0.79967558 0.86839675 1.0 Nd Nd12 1 0.08914096 0.70691162 0.62164378 1.0 Nd Nd13 1 0.90667246 0.29566555 0.62820434 1.0 Nd Nd14 1 0.20032442 0.41490643 0.63160325 1.0 Nd Nd15 1 0.79652341 0.58111979 0.63231787 1.0 Nd Nd16 1 0.00391861 0.99823588 0.99920284 1.0 Nd Nd17 1 0.50163460 0.49751795 0.00181360 1.0 Nd Nd18 1 0.50248205 0.49836540 0.49818640 1.0 Nd Nd19 1 0.00176412 0.99608139 0.50079716 1.0 Ir Ir20 1 0.65133917 0.34866083 0.75000000 1.0 Pd Pd21 1 0.34505746 0.34264222 0.25354107 1.0 Pd Pd22 1 0.65735778 0.65494254 0.24645893 1.0 Pd Pd23 1 0.84823338 0.15176662 0.25000000 1.0 Pd Pd24 1 0.34818312 0.65181688 0.75000000 1.0 Pd Pd25 1 0.15756648 0.15606854 0.75208944 1.0 Pd Pd26 1 0.84393146 0.84243352 0.74791056 1.0 Ru Ru27 1 0.14909858 0.85090142 0.25000000 1.0 Ru Ru28 1 0.00125033 0.49872248 0.38485792 1.0 Ru Ru29 1 0.50127752 0.99874967 0.11514208 1.0 Ru Ru30 1 0.50091298 0.99846075 0.61592512 1.0 Ru Ru31 1 0.00153925 0.49908702 0.88407488 1.0