data_[Tl6In2Cl8]
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 [Pmn2_1]
_cell_length_a [13.3690]
_cell_length_b [6.4923]
_cell_length_c [6.4544]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Tl3InCl4]
_chemical_formula_sum '[Tl6 In2 Cl8]'
_cell_volume [560.2105]
_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  4  0.2500  0.2493  0.5599  1.0
  Tl  Tl1  2  0.0000  0.7522  0.5625  1.0
  In  In2  2  0.0000  0.2591  0.0624  1.0
  Cl  Cl3  4  0.2497  0.2409  0.0569  1.0
  Cl  Cl4  2  0.0000  0.2386  0.5941  1.0
  Cl  Cl5  2  0.0000  0.8105  0.0626  1.0
]