# generated using pymatgen data_ThZnCu5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.07871111 _cell_length_b 8.08649284 _cell_length_c 10.13089392 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ThZnCu5 _chemical_formula_sum 'Th4 Zn4 Cu20' _cell_volume 416.06528735 _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 0.25979101 0.55993599 1.0 Th Th1 1 0.75000000 0.74020899 0.44006401 1.0 Th Th2 1 0.25000000 0.75979101 0.94006401 1.0 Th Th3 1 0.75000000 0.24020899 0.05993599 1.0 Zn Zn4 1 0.75000000 0.35302280 0.35925484 1.0 Zn Zn5 1 0.25000000 0.64697720 0.64074516 1.0 Zn Zn6 1 0.75000000 0.85302280 0.14074516 1.0 Zn Zn7 1 0.25000000 0.14697720 0.85925484 1.0 Cu Cu8 1 0.50483119 0.56282147 0.19112916 1.0 Cu Cu9 1 0.00483119 0.43717853 0.80887084 1.0 Cu Cu10 1 0.99516881 0.06282147 0.30887084 1.0 Cu Cu11 1 0.49516881 0.93717853 0.69112916 1.0 Cu Cu12 1 0.75000000 0.68160652 0.74448755 1.0 Cu Cu13 1 0.25000000 0.31839348 0.25551245 1.0 Cu Cu14 1 0.75000000 0.18160652 0.75551245 1.0 Cu Cu15 1 0.25000000 0.81839348 0.24448755 1.0 Cu Cu16 1 0.75000000 0.93277178 0.89999084 1.0 Cu Cu17 1 0.25000000 0.06722822 0.10000916 1.0 Cu Cu18 1 0.75000000 0.43277178 0.60000916 1.0 Cu Cu19 1 0.25000000 0.56722822 0.39999084 1.0 Cu Cu20 1 0.75000000 0.59525531 0.98420940 1.0 Cu Cu21 1 0.25000000 0.40474469 0.01579060 1.0 Cu Cu22 1 0.75000000 0.09525531 0.51579060 1.0 Cu Cu23 1 0.25000000 0.90474469 0.48420940 1.0 Cu Cu24 1 0.50483119 0.06282147 0.30887084 1.0 Cu Cu25 1 0.00483119 0.93717853 0.69112916 1.0 Cu Cu26 1 0.99516881 0.56282147 0.19112916 1.0 Cu Cu27 1 0.49516881 0.43717853 0.80887084 1.0