data_[Tl3Cd36In18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  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 [13.6150]
_cell_length_b [13.6150]
_cell_length_c [9.5956]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Tl(Cd2In)6]
_chemical_formula_sum '[Tl3 Cd36 In18]'
_cell_volume [1540.4083]
_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
[
  Tl  Tl0  3  0.0000  0.0000  0.0000  1.0
  Cd  Cd1  18  0.0000  0.3895  0.5000  1.0
  Cd  Cd2  18  0.0792  0.1585  0.2655  1.0
  In  In3  18  0.0669  0.5335  0.2253  1.0
]