data_[Na6Cd36In18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Cd  1.6900  1.5500  1.0900
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [12.5392]
_cell_length_b [12.5392]
_cell_length_c [11.1896]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Na(Cd2In)3]
_chemical_formula_sum '[Na6 Cd36 In18]'
_cell_volume [1523.6518]
_cell_formula_units_Z [6]
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
[
  Na  Na0  3  0.0000  0.0000  0.0000  1.0
  Na  Na1  3  0.0000  0.0000  0.5000  1.0
  Cd  Cd2  18  0.0000  0.2605  0.0000  1.0
  Cd  Cd3  18  0.0446  0.5223  0.1263  1.0
  In  In4  18  0.0878  0.1756  0.7549  1.0
]