data_[Cd36Ga18Sn3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Ga  1.8100  1.3000  0.7600
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [13.3157]
_cell_length_b [13.3157]
_cell_length_c [8.8352]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Cd12Ga6Sn]
_chemical_formula_sum '[Cd36 Ga18 Sn3]'
_cell_volume [1356.6834]
_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  0.0000  0.3843  0.5000  1.0
  Cd  Cd1  18  0.0832  0.1663  0.2587  1.0
  Ga  Ga2  18  0.0795  0.5397  0.2283  1.0
  Sn  Sn3  3  0.0000  0.0000  0.0000  1.0
]