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 [C2/m]
_cell_length_a [10.3779]
_cell_length_b [3.0439]
_cell_length_c [7.7928]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.9593]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cd2Cu]
_chemical_formula_sum '[Cd8 Cu4]'
_cell_volume [223.1796]
_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  0.0082  0.5000  0.2018  1.0
  Cd  Cd1  4  0.1622  0.0000  0.5969  1.0
  Cu  Cu2  4  0.1956  0.0000  0.0834  1.0
]