# generated using pymatgen data_ThCdCu5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.06857205 _cell_length_b 8.29708020 _cell_length_c 10.44156347 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ThCdCu5 _chemical_formula_sum 'Th4 Cd4 Cu20' _cell_volume 439.11315204 _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 0.24630176 0.93835351 1.0 Th Th1 1 0.25000000 0.75369824 0.06164649 1.0 Th Th2 1 0.75000000 0.74630176 0.56164649 1.0 Th Th3 1 0.25000000 0.25369824 0.43835351 1.0 Cd Cd4 1 0.75000000 0.36132307 0.63689089 1.0 Cd Cd5 1 0.25000000 0.63867693 0.36310911 1.0 Cd Cd6 1 0.75000000 0.86132307 0.86310911 1.0 Cd Cd7 1 0.25000000 0.13867693 0.13689089 1.0 Cu Cu8 1 0.00062991 0.43302036 0.18640226 1.0 Cu Cu9 1 0.50062991 0.56697964 0.81359774 1.0 Cu Cu10 1 0.49937009 0.93302036 0.31359774 1.0 Cu Cu11 1 0.99937009 0.06697964 0.68640226 1.0 Cu Cu12 1 0.99937009 0.56697964 0.81359774 1.0 Cu Cu13 1 0.49937009 0.43302036 0.18640226 1.0 Cu Cu14 1 0.50062991 0.06697964 0.68640226 1.0 Cu Cu15 1 0.00062991 0.93302036 0.31359774 1.0 Cu Cu16 1 0.75000000 0.44313055 0.39017544 1.0 Cu Cu17 1 0.25000000 0.55686945 0.60982456 1.0 Cu Cu18 1 0.75000000 0.94313055 0.10982456 1.0 Cu Cu19 1 0.25000000 0.05686945 0.89017544 1.0 Cu Cu20 1 0.75000000 0.18288103 0.25569326 1.0 Cu Cu21 1 0.25000000 0.81711897 0.74430674 1.0 Cu Cu22 1 0.75000000 0.68288103 0.24430674 1.0 Cu Cu23 1 0.25000000 0.31711897 0.75569326 1.0 Cu Cu24 1 0.75000000 0.08492670 0.48453495 1.0 Cu Cu25 1 0.25000000 0.91507330 0.51546505 1.0 Cu Cu26 1 0.75000000 0.58492670 0.01546505 1.0 Cu Cu27 1 0.25000000 0.41507330 0.98453495 1.0