data_[Cd12In4Sn4]
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/m]
_cell_length_a [17.3795]
_cell_length_b [4.4993]
_cell_length_c [6.6480]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.7383]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cd3InSn]
_chemical_formula_sum '[Cd12 In4 Sn4]'
_cell_volume [497.8188]
_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  0.0031  0.0000  0.2588  1
  Cd  Cd1  4  0.0963  0.5000  0.5516  1
  Cd  Cd2  4  0.2006  0.0000  0.3644  1
  In  In3  4  0.0992  0.5000  0.0609  1
  Sn  Sn4  4  0.1963  0.0000  0.8526  1
]