data_[Cd6Cu6]
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 [Cm]
_cell_length_a [10.0409]
_cell_length_b [3.2254]
_cell_length_c [6.4589]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5664]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CdCu]
_chemical_formula_sum '[Cd6 Cu6]'
_cell_volume [198.2897]
_cell_formula_units_Z [6]
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  2  0.0478  0.0000  0.0575  1.0
  Cd  Cd1  2  0.3564  0.0000  0.2373  1.0
  Cd  Cd2  2  0.3575  0.0000  0.7008  1.0
  Cu  Cu3  2  0.0421  0.0000  0.5729  1.0
  Cu  Cu4  2  0.1707  0.5000  0.4075  1.0
  Cu  Cu5  2  0.1922  0.5000  0.8574  1.0
]