data_[Cd18In36Sn3]
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 [R-3]
_cell_length_a [12.9376]
_cell_length_b [12.9376]
_cell_length_c [11.0696]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Cd6In12Sn]
_chemical_formula_sum '[Cd18 In36 Sn3]'
_cell_volume [1604.6128]
_cell_formula_units_Z [3]
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  18  0.0140  0.8748  0.7103  1.0
  In  In1  18  0.0552  0.5747  0.6258  1.0
  In  In2  18  0.0589  0.5958  0.1197  1.0
  Sn  Sn3  3  0.0000  0.0000  0.0000  1.0
]