# generated using pymatgen data_Nd23Mg4Ru7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.07952219 _cell_length_b 10.07952219 _cell_length_c 22.64545185 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999860 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd23Mg4Ru7 _chemical_formula_sum 'Nd46 Mg8 Ru14' _cell_volume 1992.46875079 _cell_formula_units_Z 2 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 0.20871493 0.41742986 0.71844836 1.0 Nd Nd1 1 0.20871493 0.79128507 0.71844836 1.0 Nd Nd2 1 0.79128507 0.58257014 0.21844836 1.0 Nd Nd3 1 0.58257014 0.79128507 0.71844836 1.0 Nd Nd4 1 0.79128507 0.20871493 0.21844836 1.0 Nd Nd5 1 0.41742986 0.20871493 0.21844836 1.0 Nd Nd6 1 0.79205433 0.58410866 0.94865621 1.0 Nd Nd7 1 0.79205433 0.20794567 0.94865621 1.0 Nd Nd8 1 0.20794567 0.41589134 0.44865621 1.0 Nd Nd9 1 0.41589134 0.20794567 0.94865621 1.0 Nd Nd10 1 0.20794567 0.79205433 0.44865621 1.0 Nd Nd11 1 0.58410866 0.79205433 0.44865621 1.0 Nd Nd12 1 0.20881016 0.41762032 0.99145383 1.0 Nd Nd13 1 0.20881016 0.79118984 0.99145383 1.0 Nd Nd14 1 0.79118984 0.58237968 0.49145383 1.0 Nd Nd15 1 0.58237968 0.79118984 0.99145383 1.0 Nd Nd16 1 0.79118984 0.20881016 0.49145383 1.0 Nd Nd17 1 0.41762032 0.20881016 0.49145383 1.0 Nd Nd18 1 0.87276209 0.74552418 0.63550323 1.0 Nd Nd19 1 0.87276209 0.12723791 0.63550323 1.0 Nd Nd20 1 0.12723791 0.25447582 0.13550323 1.0 Nd Nd21 1 0.25447582 0.12723791 0.63550323 1.0 Nd Nd22 1 0.12723791 0.87276209 0.13550323 1.0 Nd Nd23 1 0.74552418 0.87276209 0.13550323 1.0 Nd Nd24 1 0.45924643 0.91849286 0.85546812 1.0 Nd Nd25 1 0.45924643 0.54075357 0.85546812 1.0 Nd Nd26 1 0.54075357 0.08150714 0.35546812 1.0 Nd Nd27 1 0.08150714 0.54075357 0.85546812 1.0 Nd Nd28 1 0.54075357 0.45924643 0.35546812 1.0 Nd Nd29 1 0.91849286 0.45924643 0.35546812 1.0 Nd Nd30 1 -0.00000000 0.00000000 0.00313241 1.0 Nd Nd31 1 -0.00000000 0.00000000 0.50313241 1.0 Nd Nd32 1 0.45878285 0.91756571 0.58456967 1.0 Nd Nd33 1 0.45878285 0.54121715 0.58456967 1.0 Nd Nd34 1 0.54121715 0.08243429 0.08456967 1.0 Nd Nd35 1 0.08243429 0.54121715 0.58456967 1.0 Nd Nd36 1 0.54121715 0.45878285 0.08456967 1.0 Nd Nd37 1 0.91756571 0.45878285 0.08456967 1.0 Nd Nd38 1 0.79196186 0.58392371 0.78120687 1.0 Nd Nd39 1 0.79196186 0.20803814 0.78120687 1.0 Nd Nd40 1 0.20803814 0.41607629 0.28120687 1.0 Nd Nd41 1 0.41607629 0.20803814 0.78120687 1.0 Nd Nd42 1 0.20803814 0.79196186 0.28120687 1.0 Nd Nd43 1 0.58392371 0.79196186 0.28120687 1.0 Nd Nd44 1 0.66666700 0.33333300 0.64481942 1.0 Nd Nd45 1 0.33333300 0.66666700 0.14481942 1.0 Mg Mg46 1 -0.00000000 0.00000000 0.75139389 1.0 Mg Mg47 1 -0.00000000 0.00000000 0.25139389 1.0 Mg Mg48 1 0.10482500 0.20965000 0.86303013 1.0 Mg Mg49 1 0.10482500 0.89517500 0.86303013 1.0 Mg Mg50 1 0.89517500 0.79035000 0.36303013 1.0 Mg Mg51 1 0.79035000 0.89517500 0.86303013 1.0 Mg Mg52 1 0.89517500 0.10482500 0.36303013 1.0 Mg Mg53 1 0.20965000 0.10482500 0.36303013 1.0 Ru Ru54 1 0.51767539 0.03535078 0.70908563 1.0 Ru Ru55 1 0.51767539 0.48232461 0.70908563 1.0 Ru Ru56 1 0.48232461 0.96464922 0.20908563 1.0 Ru Ru57 1 0.96464922 0.48232461 0.70908563 1.0 Ru Ru58 1 0.48232461 0.51767539 0.20908563 1.0 Ru Ru59 1 0.03535078 0.51767539 0.20908563 1.0 Ru Ru60 1 0.66666700 0.33333300 0.86743776 1.0 Ru Ru61 1 0.33333300 0.66666700 0.36743776 1.0 Ru Ru62 1 0.14693582 0.29387165 0.56255680 1.0 Ru Ru63 1 0.14693582 0.85306418 0.56255680 1.0 Ru Ru64 1 0.85306418 0.70612835 0.06255680 1.0 Ru Ru65 1 0.70612835 0.85306418 0.56255680 1.0 Ru Ru66 1 0.85306418 0.14693582 0.06255680 1.0 Ru Ru67 1 0.29387165 0.14693582 0.06255680 1.0