data_[Tl4In4Cl12]
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 [15.8374]
_cell_length_b [4.0244]
_cell_length_c [10.3538]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.9185]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TlInCl3]
_chemical_formula_sum '[Tl4 In4 Cl12]'
_cell_volume [658.3623]
_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  0.2416  0.5000  0.7883  1.0
  In  In1  2  0.0000  0.0000  0.0000  1.0
  In  In2  2  0.0000  0.0000  0.5000  1.0
  Cl  Cl3  4  0.0720  0.0000  0.7182  1.0
  Cl  Cl4  4  0.0989  0.5000  0.4341  1.0
  Cl  Cl5  4  0.1528  0.5000  0.0447  1.0
]