data_[Tl6In2Cl12]
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 [7.3752]
_cell_length_b [8.1461]
_cell_length_c [12.8538]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.7136]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Tl3InCl6]
_chemical_formula_sum '[Tl6 In2 Cl12]'
_cell_volume [649.7579]
_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  0.2887  0.0715  0.7619  1.0
  Tl  Tl1  2  0.5000  0.0000  0.5000  1.0
  In  In2  2  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  4  0.1072  0.0535  0.2227  1.0
  Cl  Cl4  4  0.2288  0.7374  0.0695  1.0
  Cl  Cl5  4  0.3270  0.1643  0.0389  1.0
]