data_[Tl8In8Cl20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  In  1.7800  1.5500  0.9400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [21.7573]
_cell_length_b [7.6299]
_cell_length_c [7.7203]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [Tl2In2Cl5]
_chemical_formula_sum '[Tl8 In8 Cl20]'
_cell_volume [1281.6133]
_cell_formula_units_Z [4]
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  0.1119  0.0249  0.5202  1.0
  In  In1  4  0.0000  0.0000  0.9543  1.0
  In  In2  4  0.2500  0.5247  0.5934  1.0
  Cl  Cl3  8  0.0132  0.7470  0.7030  1.0
  Cl  Cl4  8  0.1267  0.0656  0.9224  1.0
  Cl  Cl5  4  0.2500  0.6184  0.9970  1.0
]