data_[Tl10Cd8In8]
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 [I4/m]
_cell_length_a [12.4353]
_cell_length_b [12.4353]
_cell_length_c [4.8096]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [Tl5(CdIn)4]
_chemical_formula_sum '[Tl10 Cd8 In8]'
_cell_volume [743.7387]
_cell_formula_units_Z [2]
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  8  0.1290  0.7990  0.5000  1
  Tl  Tl1  2  0.0000  0.0000  0.0000  1
  Cd  Cd2  8  0.0757  0.3971  0.5000  1
  In  In3  8  0.0658  0.2463  0.0000  1
]