data_[Tl4In8Cl16]
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 [C2/m]
_cell_length_a [13.4095]
_cell_length_b [10.0933]
_cell_length_c [9.2207]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.4324]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl(InCl2)2]
_chemical_formula_sum '[Tl4 In8 Cl16]'
_cell_volume [977.5929]
_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  4  0.0897  0.5000  0.8676  1
  In  In1  4  0.2500  0.2500  0.5000  1
  In  In2  2  0.0000  0.0000  0.0000  1
  In  In3  2  0.0000  0.0000  0.5000  1
  Cl  Cl4  8  0.0376  0.1743  0.8369  1
  Cl  Cl5  4  0.2008  0.5000  0.2597  1
  Cl  Cl6  4  0.2399  0.0000  0.2719  1
]