data_[Cd16In4Sn2]
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 [8.2325]
_cell_length_b [15.4580]
_cell_length_c [5.0686]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.4480]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cd8In2Sn]
_chemical_formula_sum '[Cd16 In4 Sn2]'
_cell_volume [567.1319]
_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  8  0.2076  0.8811  0.1491  1.0
  Cd  Cd1  4  0.0000  0.2080  0.5000  1.0
  Cd  Cd2  4  0.0994  0.5000  0.3223  1.0
  In  In3  4  0.0000  0.3155  0.0000  1.0
  Sn  Sn4  2  0.0000  0.0000  0.5000  1.0
]