# generated using pymatgen data_CaCd2Cu9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.10368000 _cell_length_b 8.34631300 _cell_length_c 8.34631300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaCd2Cu9 _chemical_formula_sum 'Ca2 Cd4 Cu18' _cell_volume 355.52714980 _cell_formula_units_Z 2 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 Ca Ca0 1 0.00000000 0.50000000 0.50000000 1.0 Ca Ca1 1 0.00000000 0.00000000 0.00000000 1.0 Cd Cd2 1 0.00000000 0.12287300 0.62287300 1.0 Cd Cd3 1 0.00000000 0.87712700 0.37712700 1.0 Cd Cd4 1 0.00000000 0.37712700 0.12287300 1.0 Cd Cd5 1 0.00000000 0.62287300 0.87712700 1.0 Cu Cu6 1 0.50000000 0.56352200 0.70573200 1.0 Cu Cu7 1 0.50000000 0.43647800 0.29426800 1.0 Cu Cu8 1 0.50000000 0.93647800 0.20573200 1.0 Cu Cu9 1 0.50000000 0.06352200 0.79426800 1.0 Cu Cu10 1 0.50000000 0.70573200 0.43647800 1.0 Cu Cu11 1 0.50000000 0.29426800 0.56352200 1.0 Cu Cu12 1 0.50000000 0.20573200 0.06352200 1.0 Cu Cu13 1 0.50000000 0.79426800 0.93647800 1.0 Cu Cu14 1 0.50000000 0.00000000 0.50000000 1.0 Cu Cu15 1 0.50000000 0.50000000 0.00000000 1.0 Cu Cu16 1 0.75268200 0.32208200 0.82208200 1.0 Cu Cu17 1 0.75268200 0.67791800 0.17791800 1.0 Cu Cu18 1 0.75268200 0.17791800 0.32208200 1.0 Cu Cu19 1 0.75268200 0.82208200 0.67791800 1.0 Cu Cu20 1 0.24731800 0.67791800 0.17791800 1.0 Cu Cu21 1 0.24731800 0.32208200 0.82208200 1.0 Cu Cu22 1 0.24731800 0.82208200 0.67791800 1.0 Cu Cu23 1 0.24731800 0.17791800 0.32208200 1.0