# generated using pymatgen data_Th4Zn5Cd3Cu16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.07623910 _cell_length_b 8.24761461 _cell_length_c 10.54731203 _cell_angle_alpha 89.97240285 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Th4Zn5Cd3Cu16 _chemical_formula_sum 'Th4 Zn5 Cd3 Cu16' _cell_volume 441.58282476 _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 Th Th0 1 0.25000000 0.25356908 0.56290855 1.0 Th Th1 1 0.75000000 0.74580148 0.44181512 1.0 Th Th2 1 0.25000000 0.75892456 0.93990332 1.0 Th Th3 1 0.75000000 0.24389656 0.05422571 1.0 Zn Zn4 1 0.25000000 0.14248830 0.86432646 1.0 Zn Zn5 1 0.75000000 0.68281602 0.75451843 1.0 Zn Zn6 1 0.25000000 0.31577284 0.24514141 1.0 Zn Zn7 1 0.75000000 0.18240507 0.74920372 1.0 Zn Zn8 1 0.25000000 0.81735030 0.25339628 1.0 Cd Cd9 1 0.75000000 0.36091447 0.36287386 1.0 Cd Cd10 1 0.25000000 0.63864185 0.63693660 1.0 Cd Cd11 1 0.75000000 0.86131539 0.13735806 1.0 Cu Cu12 1 0.50191897 0.56457232 0.18492616 1.0 Cu Cu13 1 0.00423276 0.43049816 0.81383075 1.0 Cu Cu14 1 0.99773535 0.06544742 0.31256575 1.0 Cu Cu15 1 0.49393763 0.93822392 0.69062757 1.0 Cu Cu16 1 0.75000000 0.93943473 0.89364471 1.0 Cu Cu17 1 0.25000000 0.06413425 0.10057474 1.0 Cu Cu18 1 0.75000000 0.43902629 0.60823856 1.0 Cu Cu19 1 0.25000000 0.55950153 0.39171331 1.0 Cu Cu20 1 0.75000000 0.58658406 0.98352645 1.0 Cu Cu21 1 0.25000000 0.40929904 0.01358401 1.0 Cu Cu22 1 0.75000000 0.08579679 0.51635340 1.0 Cu Cu23 1 0.25000000 0.91484475 0.48585484 1.0 Cu Cu24 1 0.50226465 0.06544742 0.31256575 1.0 Cu Cu25 1 0.00606237 0.93822392 0.69062757 1.0 Cu Cu26 1 0.99808103 0.56457232 0.18492616 1.0 Cu Cu27 1 0.49576724 0.43049816 0.81383075 1.0