# generated using pymatgen data_ThCu6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.04011191 _cell_length_b 8.02552918 _cell_length_c 10.07291680 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ThCu6 _chemical_formula_sum 'Th4 Cu24' _cell_volume 407.44510490 _cell_formula_units_Z 4 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 Th Th0 1 0.25000000 0.76073010 0.06565005 1.0 Th Th1 1 0.75000000 0.23926990 0.93434995 1.0 Th Th2 1 0.25000000 0.26073010 0.43434995 1.0 Th Th3 1 0.75000000 0.73926990 0.56565005 1.0 Cu Cu4 1 0.99577286 0.06472785 0.69006221 1.0 Cu Cu5 1 0.49577286 0.93527215 0.30993779 1.0 Cu Cu6 1 0.50422714 0.56472785 0.80993779 1.0 Cu Cu7 1 0.00422714 0.43527215 0.19006221 1.0 Cu Cu8 1 0.75000000 0.85460158 0.85928027 1.0 Cu Cu9 1 0.25000000 0.14539842 0.14071973 1.0 Cu Cu10 1 0.75000000 0.35460158 0.64071973 1.0 Cu Cu11 1 0.25000000 0.64539842 0.35928027 1.0 Cu Cu12 1 0.75000000 0.18193257 0.24474277 1.0 Cu Cu13 1 0.25000000 0.81806743 0.75525723 1.0 Cu Cu14 1 0.75000000 0.68193257 0.25525723 1.0 Cu Cu15 1 0.25000000 0.31806743 0.74474277 1.0 Cu Cu16 1 0.75000000 0.43839905 0.40023040 1.0 Cu Cu17 1 0.25000000 0.56160095 0.59976960 1.0 Cu Cu18 1 0.75000000 0.93839905 0.09976960 1.0 Cu Cu19 1 0.25000000 0.06160095 0.90023040 1.0 Cu Cu20 1 0.75000000 0.09912944 0.48470024 1.0 Cu Cu21 1 0.25000000 0.90087056 0.51529976 1.0 Cu Cu22 1 0.75000000 0.59912944 0.01529976 1.0 Cu Cu23 1 0.25000000 0.40087056 0.98470024 1.0 Cu Cu24 1 0.99577286 0.56472785 0.80993779 1.0 Cu Cu25 1 0.49577286 0.43527215 0.19006221 1.0 Cu Cu26 1 0.50422714 0.06472785 0.69006221 1.0 Cu Cu27 1 0.00422714 0.93527215 0.30993779 1.0