# generated using pymatgen data_Nd6Al24Ni3Ru5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.82854000 _cell_length_b 8.79272957 _cell_length_c 9.52990912 _cell_angle_alpha 90.18038368 _cell_angle_beta 90.02462354 _cell_angle_gamma 119.59886815 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd6Al24Ni3Ru5 _chemical_formula_sum 'Nd6 Al24 Ni3 Ru5' _cell_volume 643.23550375 _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 0.18841248 0.38306591 0.24991857 1.0 Nd Nd1 1 0.81158752 0.61693409 0.75008143 1.0 Nd Nd2 1 0.61830816 0.81055964 0.24913389 1.0 Nd Nd3 1 0.38169184 0.18944036 0.75086611 1.0 Nd Nd4 1 0.19031252 0.80644805 0.24976555 1.0 Nd Nd5 1 0.80968748 0.19355195 0.75023445 1.0 Al Al6 1 0.33453692 0.66689768 0.01216927 1.0 Al Al7 1 0.66546308 0.33310232 0.98783073 1.0 Al Al8 1 0.66568050 0.33413856 0.51202229 1.0 Al Al9 1 0.33431950 0.66586144 0.48797771 1.0 Al Al10 1 0.16369795 0.32747892 0.57514273 1.0 Al Al11 1 0.83630205 0.67252108 0.42485727 1.0 Al Al12 1 0.67312423 0.83699789 0.57459223 1.0 Al Al13 1 0.83648810 0.67235641 0.07540280 1.0 Al Al14 1 0.32687577 0.16300211 0.42540777 1.0 Al Al15 1 0.16351190 0.32764359 0.92459720 1.0 Al Al16 1 0.16509383 0.83630324 0.57577707 1.0 Al Al17 1 0.32698410 0.16449169 0.07527076 1.0 Al Al18 1 0.83490617 0.16369676 0.42422293 1.0 Al Al19 1 0.67301590 0.83550831 0.92472924 1.0 Al Al20 1 0.83684843 0.16521582 0.07609999 1.0 Al Al21 1 0.16315157 0.83478418 0.92390001 1.0 Al Al22 1 0.56137370 0.12494661 0.24831223 1.0 Al Al23 1 0.43862630 0.87505339 0.75168777 1.0 Al Al24 1 0.87251442 0.43693210 0.24915837 1.0 Al Al25 1 0.12748558 0.56306790 0.75084163 1.0 Al Al26 1 0.56056255 0.43861723 0.24897851 1.0 Al Al27 1 0.43943745 0.56138277 0.75102149 1.0 Al Al28 1 0.99677649 0.00036674 0.25018203 1.0 Al Al29 1 0.00322351 0.99963326 0.74981797 1.0 Ni Ni30 1 0.50000000 0.00000000 0.00000000 1.0 Ni Ni31 1 0.50000000 0.50000000 0.00000000 1.0 Ni Ni32 1 0.50000000 0.50000000 0.50000000 1.0 Ru Ru33 1 0.00000000 0.50000000 0.00000000 1.0 Ru Ru34 1 0.50000000 0.00000000 0.50000000 1.0 Ru Ru35 1 0.00000000 0.50000000 0.50000000 1.0 Ru Ru36 1 0.00000000 0.00000000 0.00000000 1.0 Ru Ru37 1 0.00000000 0.00000000 0.50000000 1.0