data_[Cd8Cu4]
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 [9.8433]
_cell_length_b [3.0673]
_cell_length_c [7.5449]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.1933]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Cd2Cu]
_chemical_formula_sum '[Cd8 Cu4]'
_cell_volume [227.1902]
_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  2  0.0241  0.0000  0.0138  1.0
  Cd  Cd1  2  0.1077  0.5000  0.3931  1.0
  Cd  Cd2  2  0.3154  0.0000  0.2007  1.0
  Cd  Cd3  2  0.3732  0.0000  0.6436  1.0
  Cu  Cu4  2  0.1043  0.0000  0.6872  1.0
  Cu  Cu5  2  0.2419  0.5000  0.8949  1.0
]