data_[Cd2Cu10]
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 [Amm2]
_cell_length_a [4.2815]
_cell_length_b [2.6663]
_cell_length_c [14.0314]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [CdCu5]
_chemical_formula_sum '[Cd2 Cu10]'
_cell_volume [160.1774]
_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
[
  Cd  Cd0  2  0.0000  0.0000  0.9975  1.0
  Cu  Cu1  2  0.0000  0.0000  0.3253  1.0
  Cu  Cu2  2  0.0000  0.0000  0.6733  1.0
  Cu  Cu3  2  0.5000  0.0000  0.2231  1.0
  Cu  Cu4  2  0.5000  0.0000  0.5688  1.0
  Cu  Cu5  2  0.5000  0.0000  0.8787  1.0
]