data_[Tl4In4Cl8]
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 [P2_1/c]
_cell_length_a [8.0455]
_cell_length_b [8.5561]
_cell_length_c [7.8504]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.0210]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [TlInCl2]
_chemical_formula_sum '[Tl4 In4 Cl8]'
_cell_volume [516.7409]
_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  0.2102  0.0705  0.7998  1.0
  In  In1  4  0.3035  0.5825  0.8744  1.0
  Cl  Cl2  4  0.0919  0.7089  0.5376  1.0
  Cl  Cl3  4  0.4668  0.1780  0.1551  1.0
]