# generated using pymatgen data_Nd17Th3Rh16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.62709216 _cell_length_b 7.54974869 _cell_length_c 15.01588487 _cell_angle_alpha 89.96379359 _cell_angle_beta 89.88589526 _cell_angle_gamma 90.34911298 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd17Th3Rh16 _chemical_formula_sum 'Nd17 Th3 Rh16' _cell_volume 864.63618348 _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 0.83606611 0.66632983 0.37837132 1.0 Nd Nd1 1 0.33601339 0.83461428 0.37860234 1.0 Nd Nd2 1 0.83810717 0.66873436 0.12073647 1.0 Nd Nd3 1 0.66203071 0.16548561 0.87937945 1.0 Nd Nd4 1 0.16220619 0.33112418 0.62174805 1.0 Nd Nd5 1 0.51518185 0.67985418 0.59299749 1.0 Nd Nd6 1 0.01499568 0.81760215 0.90639367 1.0 Nd Nd7 1 0.48699917 0.32157244 0.09592640 1.0 Nd Nd8 1 0.98420561 0.18454962 0.40714421 1.0 Nd Nd9 1 0.48518007 0.32056378 0.40664173 1.0 Nd Nd10 1 0.98248836 0.18315127 0.09349505 1.0 Nd Nd11 1 0.51436945 0.68086132 0.90749803 1.0 Nd Nd12 1 0.01729871 0.81349771 0.59093606 1.0 Nd Nd13 1 0.81962230 0.51695780 0.75041824 1.0 Nd Nd14 1 0.32193452 0.98220222 0.74972303 1.0 Nd Nd15 1 0.17098907 0.48489512 0.25176765 1.0 Nd Nd16 1 0.68177252 0.01229000 0.25151610 1.0 Th Th17 1 0.66508726 0.16090164 0.62166212 1.0 Th Th18 1 0.16210682 0.33530600 0.87782873 1.0 Th Th19 1 0.33528028 0.83764904 0.12249955 1.0 Rh Rh20 1 0.68755386 0.96887806 0.46640148 1.0 Rh Rh21 1 0.19371399 0.54051061 0.03281303 1.0 Rh Rh22 1 0.30808906 0.04089636 0.96522013 1.0 Rh Rh23 1 0.81213663 0.45020654 0.53980834 1.0 Rh Rh24 1 0.33607339 0.03052979 0.54444952 1.0 Rh Rh25 1 0.84248553 0.46632307 0.95581044 1.0 Rh Rh26 1 0.65703856 0.96628686 0.04498932 1.0 Rh Rh27 1 0.16999738 0.52871106 0.45854574 1.0 Rh Rh28 1 0.45861735 0.38473537 0.75163621 1.0 Rh Rh29 1 0.96189823 0.11345450 0.75154266 1.0 Rh Rh30 1 0.53204232 0.61147136 0.24553539 1.0 Rh Rh31 1 0.04935986 0.89560469 0.24280651 1.0 Rh Rh32 1 0.69442832 0.86833944 0.74521683 1.0 Rh Rh33 1 0.19393609 0.63324598 0.75385669 1.0 Rh Rh34 1 0.31506587 0.14072392 0.24704525 1.0 Rh Rh35 1 0.79562634 0.36193986 0.24903175 1.0