# generated using pymatgen data_Nd8(Ga16Cu)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.07599486 _cell_length_b 6.07599486 _cell_length_c 30.27835376 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd8(Ga16Cu)3 _chemical_formula_sum 'Nd8 Ga48 Cu3' _cell_volume 1117.80759054 _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 0.75000000 0.25000000 0.12415504 1.0 Nd Nd1 1 0.75000000 0.25000000 0.62317275 1.0 Nd Nd2 1 0.25000000 0.75000000 0.12190216 1.0 Nd Nd3 1 0.25000000 0.75000000 0.62300065 1.0 Nd Nd4 1 0.25000000 0.75000000 0.37699935 1.0 Nd Nd5 1 0.25000000 0.75000000 0.87809784 1.0 Nd Nd6 1 0.75000000 0.25000000 0.37682725 1.0 Nd Nd7 1 0.75000000 0.25000000 0.87584496 1.0 Ga Ga8 1 0.25000000 0.25000000 0.16954518 1.0 Ga Ga9 1 0.25000000 0.25000000 0.67077993 1.0 Ga Ga10 1 0.75000000 0.75000000 0.16954518 1.0 Ga Ga11 1 0.75000000 0.75000000 0.67077993 1.0 Ga Ga12 1 0.75000000 0.75000000 0.32922007 1.0 Ga Ga13 1 0.75000000 0.75000000 0.83045482 1.0 Ga Ga14 1 0.25000000 0.25000000 0.32922007 1.0 Ga Ga15 1 0.25000000 0.25000000 0.83045482 1.0 Ga Ga16 1 0.57168880 0.07168880 0.21392805 1.0 Ga Ga17 1 0.57724121 0.07724121 0.71449820 1.0 Ga Ga18 1 0.07475195 0.92524805 0.21363995 1.0 Ga Ga19 1 0.07794034 0.92205966 0.71421712 1.0 Ga Ga20 1 0.42524805 0.57475195 0.21363995 1.0 Ga Ga21 1 0.42205966 0.57794034 0.71421712 1.0 Ga Ga22 1 0.92831120 0.42831120 0.21392805 1.0 Ga Ga23 1 0.92275879 0.42275879 0.71449820 1.0 Ga Ga24 1 0.42205966 0.92205966 0.28578288 1.0 Ga Ga25 1 0.42524805 0.92524805 0.78636005 1.0 Ga Ga26 1 0.92275879 0.07724121 0.28550180 1.0 Ga Ga27 1 0.92831120 0.07168880 0.78607195 1.0 Ga Ga28 1 0.57724121 0.42275879 0.28550180 1.0 Ga Ga29 1 0.57168880 0.42831120 0.78607195 1.0 Ga Ga30 1 0.07794034 0.57794034 0.28578288 1.0 Ga Ga31 1 0.07475195 0.57475195 0.78636005 1.0 Ga Ga32 1 0.50084405 0.00084405 0.45729661 1.0 Ga Ga33 1 0.51256068 0.01256068 0.95894373 1.0 Ga Ga34 1 0.00058868 0.99941132 0.45729591 1.0 Ga Ga35 1 0.99100316 0.00899684 0.95856091 1.0 Ga Ga36 1 0.49941132 0.50058868 0.45729591 1.0 Ga Ga37 1 0.50899684 0.49100316 0.95856091 1.0 Ga Ga38 1 0.99915595 0.49915595 0.45729661 1.0 Ga Ga39 1 0.98743932 0.48743932 0.95894373 1.0 Ga Ga40 1 0.50899684 0.00899684 0.04143909 1.0 Ga Ga41 1 0.49941132 0.99941132 0.54270409 1.0 Ga Ga42 1 0.98743932 0.01256068 0.04105627 1.0 Ga Ga43 1 0.99915595 0.00084405 0.54270339 1.0 Ga Ga44 1 0.51256068 0.48743932 0.04105627 1.0 Ga Ga45 1 0.50084405 0.49915595 0.54270339 1.0 Ga Ga46 1 0.99100316 0.49100316 0.04143909 1.0 Ga Ga47 1 0.00058868 0.50058868 0.54270409 1.0 Ga Ga48 1 0.25000000 0.25000000 0.08859848 1.0 Ga Ga49 1 0.25000000 0.25000000 0.58990732 1.0 Ga Ga50 1 0.75000000 0.75000000 0.08859848 1.0 Ga Ga51 1 0.75000000 0.75000000 0.58990732 1.0 Ga Ga52 1 0.75000000 0.75000000 0.41009268 1.0 Ga Ga53 1 0.75000000 0.75000000 0.91140152 1.0 Ga Ga54 1 0.25000000 0.25000000 0.41009268 1.0 Ga Ga55 1 0.25000000 0.25000000 0.91140152 1.0 Cu Cu56 1 0.75000000 0.25000000 0.50000000 1.0 Cu Cu57 1 0.25000000 0.75000000 -0.00000000 1.0 Cu Cu58 1 0.25000000 0.75000000 0.50000000 1.0