# generated using pymatgen data_Th(ZnCu2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05578832 _cell_length_b 8.10833823 _cell_length_c 10.36281092 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Th(ZnCu2)2 _chemical_formula_sum 'Th4 Zn8 Cu16' _cell_volume 424.81350353 _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 0.25890436 0.56006883 1.0 Th Th1 1 0.75000000 0.74109564 0.43993117 1.0 Th Th2 1 0.25000000 0.75890436 0.93993117 1.0 Th Th3 1 0.75000000 0.24109564 0.06006883 1.0 Zn Zn4 1 0.75000000 0.35506010 0.36169785 1.0 Zn Zn5 1 0.25000000 0.64493990 0.63830215 1.0 Zn Zn6 1 0.75000000 0.85506010 0.13830215 1.0 Zn Zn7 1 0.25000000 0.14493990 0.86169785 1.0 Zn Zn8 1 0.75000000 0.67877962 0.74843843 1.0 Zn Zn9 1 0.25000000 0.32122038 0.25156157 1.0 Zn Zn10 1 0.75000000 0.17877962 0.75156157 1.0 Zn Zn11 1 0.25000000 0.82122038 0.24843843 1.0 Cu Cu12 1 0.50671244 0.56723169 0.19133127 1.0 Cu Cu13 1 0.00671244 0.43276831 0.80866873 1.0 Cu Cu14 1 0.99328756 0.06723169 0.30866873 1.0 Cu Cu15 1 0.49328756 0.93276831 0.69133127 1.0 Cu Cu16 1 0.75000000 0.93290095 0.90203771 1.0 Cu Cu17 1 0.25000000 0.06709905 0.09796229 1.0 Cu Cu18 1 0.75000000 0.43290095 0.59796229 1.0 Cu Cu19 1 0.25000000 0.56709905 0.40203771 1.0 Cu Cu20 1 0.75000000 0.59099779 0.98548961 1.0 Cu Cu21 1 0.25000000 0.40900221 0.01451039 1.0 Cu Cu22 1 0.75000000 0.09099779 0.51451039 1.0 Cu Cu23 1 0.25000000 0.90900221 0.48548961 1.0 Cu Cu24 1 0.50671244 0.06723169 0.30866873 1.0 Cu Cu25 1 0.00671244 0.93276831 0.69133127 1.0 Cu Cu26 1 0.99328756 0.56723169 0.19133127 1.0 Cu Cu27 1 0.49328756 0.43276831 0.80866873 1.0