# generated using pymatgen data_ThGaCu5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.03274011 _cell_length_b 8.09332950 _cell_length_c 10.25438191 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ThGaCu5 _chemical_formula_sum 'Th4 Ga4 Cu20' _cell_volume 417.67762829 _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 0.25854608 0.55943907 1.0 Th Th1 1 0.75000000 0.74145392 0.44056093 1.0 Th Th2 1 0.25000000 0.75854608 0.94056093 1.0 Th Th3 1 0.75000000 0.24145392 0.05943907 1.0 Ga Ga4 1 0.75000000 0.35372761 0.35911244 1.0 Ga Ga5 1 0.25000000 0.64627239 0.64088756 1.0 Ga Ga6 1 0.75000000 0.85372761 0.14088756 1.0 Ga Ga7 1 0.25000000 0.14627239 0.85911244 1.0 Cu Cu8 1 0.50400099 0.56763930 0.19225352 1.0 Cu Cu9 1 0.00400099 0.43236070 0.80774648 1.0 Cu Cu10 1 0.99599901 0.06763930 0.30774648 1.0 Cu Cu11 1 0.49599901 0.93236070 0.69225352 1.0 Cu Cu12 1 0.75000000 0.67717205 0.74636958 1.0 Cu Cu13 1 0.25000000 0.32282795 0.25363042 1.0 Cu Cu14 1 0.75000000 0.17717205 0.75363042 1.0 Cu Cu15 1 0.25000000 0.82282795 0.24636958 1.0 Cu Cu16 1 0.75000000 0.93057937 0.90278684 1.0 Cu Cu17 1 0.25000000 0.06942063 0.09721316 1.0 Cu Cu18 1 0.75000000 0.43057937 0.59721316 1.0 Cu Cu19 1 0.25000000 0.56942063 0.40278684 1.0 Cu Cu20 1 0.75000000 0.58958347 0.98424335 1.0 Cu Cu21 1 0.25000000 0.41041653 0.01575665 1.0 Cu Cu22 1 0.75000000 0.08958347 0.51575665 1.0 Cu Cu23 1 0.25000000 0.91041653 0.48424335 1.0 Cu Cu24 1 0.50400099 0.06763930 0.30774648 1.0 Cu Cu25 1 0.00400099 0.93236070 0.69225352 1.0 Cu Cu26 1 0.99599901 0.56763930 0.19225352 1.0 Cu Cu27 1 0.49599901 0.43236070 0.80774648 1.0