data_[Na8Cd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.9468]
_cell_length_b [5.1862]
_cell_length_c [9.5163]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [NaCd]
_chemical_formula_sum '[Na8 Cd8]'
_cell_volume [441.5587]
_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
[
  Na  Na0  4  0.1028  0.7500  0.7248  1.0
  Na  Na1  4  0.1982  0.2500  0.5238  1.0
  Cd  Cd2  4  0.0638  0.2500  0.9430  1.0
  Cd  Cd3  4  0.1281  0.7500  0.3246  1.0
]