data_[Tl2In6Cl8]
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 [12.8803]
_cell_length_b [6.6820]
_cell_length_c [6.3947]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [TlIn3Cl4]
_chemical_formula_sum '[Tl2 In6 Cl8]'
_cell_volume [550.3640]
_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  0.2449  0.0761  1.0
  In  In1  4  0.2498  0.7530  0.0609  1.0
  In  In2  2  0.0000  0.7528  0.5734  1.0
  Cl  Cl3  4  0.2497  0.3263  0.0241  1.0
  Cl  Cl4  2  0.0000  0.3249  0.5857  1.0
  Cl  Cl5  2  0.0000  0.7096  0.1101  1.0
]