# generated using pymatgen data_Cd5Cu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.17154785 _cell_length_b 8.17154788 _cell_length_c 8.85299169 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999580 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cd5Cu2 _chemical_formula_sum 'Cd20 Cu8' _cell_volume 511.95214198 _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 Cd Cd0 1 0.20405150 0.40810399 0.95857062 1.0 Cd Cd1 1 0.79594850 0.20405150 0.45857062 1.0 Cd Cd2 1 0.40810399 0.20405150 0.45857062 1.0 Cd Cd3 1 0.59189601 0.79594850 0.95857062 1.0 Cd Cd4 1 0.20405150 0.79594850 0.95857062 1.0 Cd Cd5 1 0.79594850 0.59189601 0.04142938 1.0 Cd Cd6 1 0.79594850 0.20405150 0.04142938 1.0 Cd Cd7 1 0.79594850 0.59189601 0.45857062 1.0 Cd Cd8 1 0.40810399 0.20405150 0.04142938 1.0 Cd Cd9 1 0.59189601 0.79594850 0.54142938 1.0 Cd Cd10 1 0.20405150 0.40810399 0.54142938 1.0 Cd Cd11 1 0.20405150 0.79594850 0.54142938 1.0 Cd Cd12 1 0.53745532 0.07490965 0.75000000 1.0 Cd Cd13 1 0.46254468 0.53745532 0.25000000 1.0 Cd Cd14 1 0.07490965 0.53745532 0.25000000 1.0 Cd Cd15 1 0.92509035 0.46254468 0.75000000 1.0 Cd Cd16 1 0.53745532 0.46254468 0.75000000 1.0 Cd Cd17 1 0.46254468 0.92509035 0.25000000 1.0 Cd Cd18 1 0.00000000 -0.00000000 0.50000000 1.0 Cd Cd19 1 0.00000000 -0.00000000 -0.00000000 1.0 Cu Cu20 1 0.88985101 0.77970102 0.75000000 1.0 Cu Cu21 1 0.11014899 0.88985101 0.25000000 1.0 Cu Cu22 1 0.77970102 0.88985101 0.25000000 1.0 Cu Cu23 1 0.22029898 0.11014899 0.75000000 1.0 Cu Cu24 1 0.88985101 0.11014899 0.75000000 1.0 Cu Cu25 1 0.11014899 0.22029898 0.25000000 1.0 Cu Cu26 1 0.66666700 0.33333300 0.25000000 1.0 Cu Cu27 1 0.33333300 0.66666700 0.75000000 1.0