data_[Tl4Zn2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Zn  1.6500  1.3500  0.8800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.1153]
_cell_length_b [7.2404]
_cell_length_c [9.1450]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3068]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tl2ZnCl4]
_chemical_formula_sum '[Tl4 Zn2 Cl8]'
_cell_volume [444.6301]
_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  2  0.2203  0.2500  0.4281  1.0
  Tl  Tl1  2  0.2933  0.2500  0.9599  1.0
  Zn  Zn2  2  0.2795  0.7500  0.2098  1.0
  Cl  Cl3  4  0.4930  0.5013  0.2738  1.0
  Cl  Cl4  2  0.0719  0.7500  0.3541  1.0
  Cl  Cl5  2  0.1099  0.7500  0.9491  1.0
]