data_[Cd12W4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.1741]
_cell_length_b [4.1741]
_cell_length_c [17.7719]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Cd3W]
_chemical_formula_sum '[Cd12 W4]'
_cell_volume [309.6489]
_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  0.0000  0.0000  0.1277  1
  Cd  Cd1  4  0.0000  0.5000  0.0000  1
  Cd  Cd2  4  0.0000  0.5000  0.2500  1
  W  W3  4  0.0000  0.0000  0.3841  1
]