# generated using pymatgen data_NaTh(Al5Cu6)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.30053328 _cell_length_b 8.15495415 _cell_length_c 7.80959048 _cell_angle_alpha 80.33153793 _cell_angle_beta 51.30243239 _cell_angle_gamma 48.36603245 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaTh(Al5Cu6)2 _chemical_formula_sum 'Na1 Th1 Al10 Cu12' _cell_volume 346.53171566 _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 Na Na0 1 0.00000000 0.00000000 0.00000000 1.0 Th Th1 1 0.25000000 0.25000000 0.25000000 1.0 Al Al2 1 0.50000000 0.50000000 0.50000000 1.0 Al Al3 1 0.75000000 0.75000000 0.75000000 1.0 Al Al4 1 0.76470893 0.06320363 0.82833948 1.0 Al Al5 1 0.82833948 0.34374796 0.76470893 1.0 Al Al6 1 0.06320363 0.76470893 0.34374796 1.0 Al Al7 1 0.34374796 0.82833948 0.06320363 1.0 Al Al8 1 0.49823988 0.17580419 0.41641581 1.0 Al Al9 1 0.41641581 0.90954012 0.49823988 1.0 Al Al10 1 0.17580419 0.49823988 0.90954012 1.0 Al Al11 1 0.90954012 0.41641581 0.17580419 1.0 Cu Cu12 1 0.61972267 0.13243141 0.63000340 1.0 Cu Cu13 1 0.63000340 0.61784251 0.61972267 1.0 Cu Cu14 1 0.13243141 0.61972267 0.61784251 1.0 Cu Cu15 1 0.61784251 0.63000340 0.13243141 1.0 Cu Cu16 1 0.48885707 0.43706142 0.18241190 1.0 Cu Cu17 1 0.18241190 0.89166960 0.48885707 1.0 Cu Cu18 1 0.43706142 0.48885707 0.89166960 1.0 Cu Cu19 1 0.89166960 0.18241190 0.43706142 1.0 Cu Cu20 1 0.76221610 0.80918576 0.06313827 1.0 Cu Cu21 1 0.06313827 0.36546087 0.76221610 1.0 Cu Cu22 1 0.80918576 0.76221610 0.36546087 1.0 Cu Cu23 1 0.36546087 0.06313827 0.80918576 1.0