# generated using pymatgen data_Nd3Th(Al8Pd3)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.56617079 _cell_length_b 7.56434329 _cell_length_c 13.25397379 _cell_angle_alpha 84.57235385 _cell_angle_beta 100.92547309 _cell_angle_gamma 119.85295501 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd3Th(Al8Pd3)3 _chemical_formula_sum 'Nd3 Th1 Al24 Pd9' _cell_volume 645.98389652 _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 0.56198413 0.16798826 0.19169783 1.0 Nd Nd1 1 0.76875829 0.50189152 0.80873986 1.0 Nd Nd2 1 0.23107271 0.49817637 0.19173802 1.0 Th Th3 1 0.43802060 0.83217100 0.80735852 1.0 Al Al4 1 0.47979099 0.16770553 0.94738621 1.0 Al Al5 1 0.52063075 0.83345621 0.05462957 1.0 Al Al6 1 0.02009547 0.16656130 0.55897628 1.0 Al Al7 1 0.97924869 0.83328935 0.43994340 1.0 Al Al8 1 0.35330389 0.83355303 0.55725838 1.0 Al Al9 1 0.64665069 0.16712135 0.44130015 1.0 Al Al10 1 0.62044618 0.83452172 0.33515147 1.0 Al Al11 1 0.37905361 0.16791540 0.66367619 1.0 Al Al12 1 0.05219702 0.48873952 0.66396037 1.0 Al Al13 1 0.94479283 0.50867205 0.33461540 1.0 Al Al14 1 0.73361239 0.84262304 0.66277762 1.0 Al Al15 1 0.26840231 0.15754471 0.33578350 1.0 Al Al16 1 0.14768330 0.49592516 0.94730378 1.0 Al Al17 1 0.85139968 0.50229493 0.05399628 1.0 Al Al18 1 0.82246797 0.83511297 0.95951446 1.0 Al Al19 1 0.17981979 0.16533903 0.04344732 1.0 Al Al20 1 0.31397395 0.50042043 0.44139663 1.0 Al Al21 1 0.68594308 0.49927286 0.55827203 1.0 Al Al22 1 0.09956952 0.83594017 0.18430235 1.0 Al Al23 1 0.90204906 0.16446629 0.81575629 1.0 Al Al24 1 0.30434613 0.36559883 0.81429222 1.0 Al Al25 1 0.69461510 0.63271246 0.18600102 1.0 Al Al26 1 0.10216119 0.96158973 0.81604156 1.0 Al Al27 1 0.89744828 0.03917238 0.18436820 1.0 Pd Pd28 1 0.38562531 0.50718072 0.63695763 1.0 Pd Pd29 1 0.61453232 0.49407101 0.36381468 1.0 Pd Pd30 1 0.17174129 0.82865283 0.99951929 1.0 Pd Pd31 1 0.82813283 0.17097878 0.99928635 1.0 Pd Pd32 1 0.29394372 0.83325773 0.36366805 1.0 Pd Pd33 1 0.70502938 0.16586974 0.63691621 1.0 Pd Pd34 1 0.04778383 0.82668977 0.63694312 1.0 Pd Pd35 1 0.95372026 0.17306833 0.36378951 1.0 Pd Pd36 1 0.49995445 0.50045648 0.99941925 1.0