data_[Ba16Cd8Sn24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Cd  1.6900  1.5500  1.0900
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [9.8692]
_cell_length_b [10.1243]
_cell_length_c [17.2458]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Ba2CdSn3]
_chemical_formula_sum '[Ba16 Cd8 Sn24]'
_cell_volume [1723.1780]
_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
[
  Ba  Ba0  8  0.0000  0.2401  0.5000  1.0
  Ba  Ba1  8  0.2500  0.2500  0.2500  1.0
  Cd  Cd2  8  0.0000  0.0000  0.1666  1.0
  Sn  Sn3  16  0.2447  0.0000  0.0839  1.0
  Sn  Sn4  8  0.0000  0.0000  0.3311  1.0
]