data_[Cd8In20Sn8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  In  1.7800  1.5500  0.9400
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [15.3271]
_cell_length_b [9.9507]
_cell_length_c [6.4787]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [Cd2In5Sn2]
_chemical_formula_sum '[Cd8 In20 Sn8]'
_cell_volume [988.0939]
_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  8  0.0992  0.0343  0.4422  1
  In  In1  8  0.0610  0.7302  0.2118  1
  In  In2  8  0.1510  0.1787  0.8524  1
  In  In3  4  0.2500  0.6302  0.1590  1
  Sn  Sn4  4  0.0000  0.0000  0.0202  1
  Sn  Sn5  4  0.2500  0.5520  0.6440  1
]