data_[Cd4In8Sn12]
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 [C2/c]
_cell_length_a [17.3679]
_cell_length_b [6.4254]
_cell_length_c [5.8491]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.6282]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CdIn2Sn3]
_chemical_formula_sum '[Cd4 In8 Sn12]'
_cell_volume [650.6019]
_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  0.1249  0.7500  1.0
  In  In1  8  0.1688  0.3767  0.5950  1.0
  Sn  Sn2  8  0.1576  0.1221  0.0940  1.0
  Sn  Sn3  4  0.0000  0.3729  0.2500  1.0
]