data_[Cd4Cu8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [3.9582]
_cell_length_b [11.7785]
_cell_length_c [3.8591]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [CdCu2]
_chemical_formula_sum '[Cd4 Cu8]'
_cell_volume [179.9187]
_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  4  0.0000  0.3380  0.0000  1.0
  Cu  Cu1  4  0.0000  0.1506  0.5000  1.0
  Cu  Cu2  2  0.0000  0.0000  0.0000  1.0
  Cu  Cu3  2  0.0000  0.5000  0.5000  1.0
]