data_[Tl2In8Cl10]
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 [I4/m]
_cell_length_a [10.2352]
_cell_length_b [10.2352]
_cell_length_c [6.4792]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [TlIn4Cl5]
_chemical_formula_sum '[Tl2 In8 Cl10]'
_cell_volume [678.7610]
_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  2  0.0000  0.0000  0.5000  1.0
  In  In1  8  0.0997  0.3001  0.0000  1.0
  Cl  Cl2  8  0.0990  0.3031  0.5000  1.0
  Cl  Cl3  2  0.0000  0.0000  0.0000  1.0
]