data_[Cd12In24Sn4]
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 [Cmc2_1]
_cell_length_a [11.8501]
_cell_length_b [15.2391]
_cell_length_c [6.0895]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Cd3In6Sn]
_chemical_formula_sum '[Cd12 In24 Sn4]'
_cell_volume [1099.6797]
_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  0.1295  0.1206  0.9165  1.0
  Cd  Cd1  4  0.0000  0.4497  0.7375  1.0
  In  In2  8  0.2180  0.4681  0.0707  1.0
  In  In3  8  0.2383  0.2064  0.3260  1.0
  In  In4  4  0.0000  0.0653  0.3683  1.0
  In  In5  4  0.0000  0.3159  0.1364  1.0
  Sn  Sn6  4  0.0000  0.2564  0.6167  1.0
]