data_[Tl4Zn4Cl12]
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 [Pnma]
_cell_length_a [6.0979]
_cell_length_b [14.7768]
_cell_length_c [6.3386]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [TlZnCl3]
_chemical_formula_sum '[Tl4 Zn4 Cl12]'
_cell_volume [571.1535]
_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  0.0000  0.0000  0.5000  1.0
  Zn  Zn1  4  0.1241  0.2500  0.0823  1.0
  Cl  Cl2  8  0.0215  0.1114  0.9703  1.0
  Cl  Cl3  4  0.0085  0.2500  0.4382  1.0
]