data_[Cd8Re8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Re  1.9000  1.3500  0.7125
]
_symmetry_space_group_name_H-M [P2_12_12_1]
_cell_length_a [5.8738]
_cell_length_b [6.9636]
_cell_length_c [7.7014]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [19]
_chemical_formula_structural [CdRe]
_chemical_formula_sum '[Cd8 Re8]'
_cell_volume [315.0029]
_cell_formula_units_Z [8]
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  0.0808  0.1970  0.4835  1
  Cd  Cd1  4  0.1976  0.5546  0.6847  1
  Re  Re2  4  0.0905  0.0839  0.1141  1
  Re  Re3  4  0.2125  0.8327  0.3269  1
]