data_[Tl1Cd8In6]
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 [P-3]
_cell_length_a [8.7152]
_cell_length_b [8.7152]
_cell_length_c [6.0274]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [Tl(Cd4In3)2]
_chemical_formula_sum '[Tl1 Cd8 In6]'
_cell_volume [396.4791]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1
  Cd  Cd1  6  0.0081  0.6809  0.0604  1
  Cd  Cd2  2  0.3333  0.6667  0.8913  1
  In  In3  6  0.1374  0.4334  0.4406  1
]