# generated using pymatgen data_Nd6Al24Pd3Ru5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.92973615 _cell_length_b 8.90108116 _cell_length_c 9.59838178 _cell_angle_alpha 90.00316440 _cell_angle_beta 89.96510123 _cell_angle_gamma 120.24824820 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd6Al24Pd3Ru5 _chemical_formula_sum 'Nd6 Al24 Pd3 Ru5' _cell_volume 659.04960301 _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 0.19254575 0.38322243 0.24982220 1.0 Nd Nd1 1 0.80745425 0.61677757 0.75017780 1.0 Nd Nd2 1 0.61789606 0.80632690 0.25179634 1.0 Nd Nd3 1 0.38210394 0.19367310 0.74820366 1.0 Nd Nd4 1 0.18865772 0.80854935 0.24987441 1.0 Nd Nd5 1 0.81134228 0.19145065 0.75012559 1.0 Al Al6 1 0.33621413 0.66398332 0.01490333 1.0 Al Al7 1 0.66378587 0.33601668 0.98509667 1.0 Al Al8 1 0.66977670 0.33925157 0.51501295 1.0 Al Al9 1 0.33022330 0.66074843 0.48498705 1.0 Al Al10 1 0.16368838 0.32761438 0.57536186 1.0 Al Al11 1 0.83631162 0.67238562 0.42463814 1.0 Al Al12 1 0.67454854 0.83207421 0.57647756 1.0 Al Al13 1 0.83152768 0.67423084 0.07813958 1.0 Al Al14 1 0.32545146 0.16792579 0.42352244 1.0 Al Al15 1 0.16847232 0.32576916 0.92186042 1.0 Al Al16 1 0.15704366 0.83211467 0.57534700 1.0 Al Al17 1 0.32495405 0.16782498 0.07640480 1.0 Al Al18 1 0.84295634 0.16788533 0.42465300 1.0 Al Al19 1 0.67504595 0.83217502 0.92359520 1.0 Al Al20 1 0.83769604 0.16108136 0.07792867 1.0 Al Al21 1 0.16230396 0.83891864 0.92207133 1.0 Al Al22 1 0.56384925 0.12849378 0.24957177 1.0 Al Al23 1 0.43615075 0.87150622 0.75042823 1.0 Al Al24 1 0.87268260 0.43666243 0.25365976 1.0 Al Al25 1 0.12731740 0.56333757 0.74634024 1.0 Al Al26 1 0.56212034 0.43741104 0.24975992 1.0 Al Al27 1 0.43787966 0.56258896 0.75024008 1.0 Al Al28 1 0.99947832 0.99736002 0.25031787 1.0 Al Al29 1 0.00052168 0.00263998 0.74968213 1.0 Pd Pd30 1 0.50000000 0.00000000 0.00000000 1.0 Pd Pd31 1 0.00000000 0.50000000 0.00000000 1.0 Pd Pd32 1 0.50000000 0.00000000 0.50000000 1.0 Ru Ru33 1 0.50000000 0.50000000 0.00000000 1.0 Ru Ru34 1 0.00000000 0.50000000 0.50000000 1.0 Ru Ru35 1 0.50000000 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