data_[Cd4In12Sn2]
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 [Amm2]
_cell_length_a [4.4100]
_cell_length_b [13.9526]
_cell_length_c [8.1540]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Cd2In6Sn]
_chemical_formula_sum '[Cd4 In12 Sn2]'
_cell_volume [501.7252]
_cell_formula_units_Z [2]
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  0.1687  0.5005  1.0
  In  In1  4  0.0000  0.1323  0.1371  1.0
  In  In2  4  0.5000  0.2017  0.7972  1.0
  In  In3  2  0.0000  0.0000  0.7290  1.0
  In  In4  2  0.5000  0.0000  0.4039  1.0
  Sn  Sn5  2  0.5000  0.0000  0.9974  1.0
]