# generated using pymatgen data_Nd7Th7Au20 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.96424156 _cell_length_b 8.96423134 _cell_length_c 10.63569967 _cell_angle_alpha 89.89097614 _cell_angle_beta 90.10914648 _cell_angle_gamma 107.45337946 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd7Th7Au20 _chemical_formula_sum 'Nd7 Th7 Au20' _cell_volume 815.30897758 _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 0.99631622 0.49631622 0.75000000 1.0 Nd Nd1 1 0.49596329 0.99596329 0.75000000 1.0 Nd Nd2 1 0.50377261 0.00377261 0.25000000 1.0 Nd Nd3 1 0.31113474 0.30848941 0.19399268 1.0 Nd Nd4 1 0.69075214 0.69118660 0.80720457 1.0 Nd Nd5 1 0.19118660 0.19075114 0.69279543 1.0 Nd Nd6 1 0.80848941 0.81113474 0.30600732 1.0 Th Th7 1 0.68798083 0.30859762 0.99822960 1.0 Th Th8 1 0.31200171 0.69113574 0.99871166 1.0 Th Th9 1 0.80859762 0.18798083 0.50177040 1.0 Th Th10 1 0.19113574 0.81200071 0.50129034 1.0 Th Th11 1 0.00045051 0.00057582 0.00001792 1.0 Th Th12 1 0.50057482 0.50044951 0.49998208 1.0 Th Th13 1 0.00417424 0.50417524 0.25000000 1.0 Au Au14 1 0.85906810 0.15284093 0.20695768 1.0 Au Au15 1 0.13917259 0.84894315 0.79304625 1.0 Au Au16 1 0.64021378 0.34953236 0.70672511 1.0 Au Au17 1 0.65283993 0.35906710 0.29304232 1.0 Au Au18 1 0.35833921 0.65081014 0.29289313 1.0 Au Au19 1 0.34894415 0.63917259 0.70695475 1.0 Au Au20 1 0.84953236 0.14021378 0.79327489 1.0 Au Au21 1 0.15081114 0.85834021 0.20710787 1.0 Au Au22 1 0.94122937 0.64567966 0.00180409 1.0 Au Au23 1 0.05938437 0.35423280 0.00005439 1.0 Au Au24 1 0.55953381 0.85317870 0.50157063 1.0 Au Au25 1 0.14567766 0.44122837 0.49819391 1.0 Au Au26 1 0.44057985 0.14723734 0.49776791 1.0 Au Au27 1 0.85423180 0.55938337 0.49994661 1.0 Au Au28 1 0.35317970 0.05953481 0.99842937 1.0 Au Au29 1 0.64723934 0.94058085 0.00223109 1.0 Au Au30 1 0.10042603 0.10166330 0.40148417 1.0 Au Au31 1 0.89838485 0.89701718 0.59845962 1.0 Au Au32 1 0.39701818 0.39838485 0.90153938 1.0 Au Au33 1 0.60166430 0.60042603 0.09851583 1.0