data_[Tl4In2Sn2Cl12]
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
  Sn  1.9600  1.4500  0.8300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [7.8436]
_cell_length_b [7.8436]
_cell_length_c [11.0378]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [Tl2InSnCl6]
_chemical_formula_sum '[Tl4 In2 Sn2 Cl12]'
_cell_volume [679.0635]
_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  0.0000  0.5000  0.1845  1.0
  In  In1  2  0.0000  0.0000  0.0052  1.0
  Sn  Sn2  2  0.0000  0.0000  0.5053  1.0
  Cl  Cl3  8  0.2485  0.2485  0.0224  1.0
  Cl  Cl4  2  0.0000  0.0000  0.2600  1.0
  Cl  Cl5  2  0.0000  0.0000  0.7638  1.0
]