# generated using pymatgen data_ThInCu5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.04529781 _cell_length_b 8.27135467 _cell_length_c 10.59183757 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ThInCu5 _chemical_formula_sum 'Th4 In4 Cu20' _cell_volume 442.01271456 _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 0.75000000 0.24724845 0.93985257 1.0 Th Th1 1 0.25000000 0.75275155 0.06014743 1.0 Th Th2 1 0.75000000 0.74724845 0.56014743 1.0 Th Th3 1 0.25000000 0.25275155 0.43985257 1.0 In In4 1 0.75000000 0.36025518 0.63830150 1.0 In In5 1 0.25000000 0.63974482 0.36169850 1.0 In In6 1 0.75000000 0.86025518 0.86169850 1.0 In In7 1 0.25000000 0.13974482 0.13830150 1.0 Cu Cu8 1 0.00007171 0.43207690 0.18702953 1.0 Cu Cu9 1 0.50007171 0.56792310 0.81297047 1.0 Cu Cu10 1 0.49992829 0.93207690 0.31297047 1.0 Cu Cu11 1 -0.00007171 0.06792310 0.68702953 1.0 Cu Cu12 1 -0.00007171 0.56792310 0.81297047 1.0 Cu Cu13 1 0.49992829 0.43207690 0.18702953 1.0 Cu Cu14 1 0.50007171 0.06792310 0.68702953 1.0 Cu Cu15 1 0.00007171 0.93207690 0.31297047 1.0 Cu Cu16 1 0.75000000 0.43910719 0.39228331 1.0 Cu Cu17 1 0.25000000 0.56089281 0.60771669 1.0 Cu Cu18 1 0.75000000 0.93910719 0.10771669 1.0 Cu Cu19 1 0.25000000 0.06089281 0.89228331 1.0 Cu Cu20 1 0.75000000 0.18087252 0.25538461 1.0 Cu Cu21 1 0.25000000 0.81912748 0.74461539 1.0 Cu Cu22 1 0.75000000 0.68087252 0.24461539 1.0 Cu Cu23 1 0.25000000 0.31912748 0.75538461 1.0 Cu Cu24 1 0.75000000 0.08356383 0.48352639 1.0 Cu Cu25 1 0.25000000 0.91643617 0.51647361 1.0 Cu Cu26 1 0.75000000 0.58356383 0.01647361 1.0 Cu Cu27 1 0.25000000 0.41643617 0.98352639 1.0