data_[Tl8Sn4Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Sn  1.9600  1.4500  0.8300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P4_122]
_cell_length_a [9.2549]
_cell_length_b [9.2549]
_cell_length_c [12.5315]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [91]
_chemical_formula_structural [Tl2SnCl4]
_chemical_formula_sum '[Tl8 Sn4 Cl16]'
_cell_volume [1073.3753]
_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  0.2355  0.5000  0.7500  1
  Tl  Tl1  4  0.2550  0.2550  0.3750  1
  Sn  Sn2  4  0.0000  0.2429  0.0000  1
  Cl  Cl3  8  0.0104  0.2411  0.7703  1
  Cl  Cl4  8  0.2105  0.4476  0.0065  1
]