# generated using pymatgen data_ThInCu3Pd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.06557660 _cell_length_b 8.38889512 _cell_length_c 11.02749539 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ThInCu3Pd2 _chemical_formula_sum 'Th4 In4 Cu12 Pd8' _cell_volume 468.60890469 _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 0.75007989 0.43353922 1.0 Th Th1 1 0.25000000 0.24992011 0.56646078 1.0 Th Th2 1 0.25000000 0.74992011 0.93353922 1.0 Th Th3 1 0.75000000 0.25007989 0.06646078 1.0 In In4 1 0.75000000 0.85617133 0.14298828 1.0 In In5 1 0.25000000 0.14382867 0.85701172 1.0 In In6 1 0.25000000 0.64382867 0.64298828 1.0 In In7 1 0.75000000 0.35617133 0.35701172 1.0 Cu Cu8 1 0.50149666 0.93261441 0.69437765 1.0 Cu Cu9 1 0.49850334 0.06738559 0.30562235 1.0 Cu Cu10 1 0.49850334 0.56738559 0.19437765 1.0 Cu Cu11 1 0.00149666 0.06738559 0.30562235 1.0 Cu Cu12 1 0.50149666 0.43261441 0.80562235 1.0 Cu Cu13 1 0.99850334 0.93261441 0.69437765 1.0 Cu Cu14 1 0.99850334 0.43261441 0.80562235 1.0 Cu Cu15 1 0.00149666 0.56738559 0.19437765 1.0 Cu Cu16 1 0.75000000 0.68439374 0.75751864 1.0 Cu Cu17 1 0.25000000 0.31560626 0.24248136 1.0 Cu Cu18 1 0.25000000 0.81560626 0.25751864 1.0 Cu Cu19 1 0.75000000 0.18439374 0.74248136 1.0 Pd Pd20 1 0.75000000 0.58957070 0.98574532 1.0 Pd Pd21 1 0.25000000 0.41042930 0.01425468 1.0 Pd Pd22 1 0.25000000 0.91042930 0.48574532 1.0 Pd Pd23 1 0.75000000 0.08957070 0.51425468 1.0 Pd Pd24 1 0.75000000 0.95262220 0.90572141 1.0 Pd Pd25 1 0.25000000 0.04737780 0.09427859 1.0 Pd Pd26 1 0.25000000 0.54737780 0.40572141 1.0 Pd Pd27 1 0.75000000 0.45262220 0.59427859 1.0