data_[Tl12Zn4Cl24]
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 [Cmc2_1]
_cell_length_a [12.4079]
_cell_length_b [14.8922]
_cell_length_c [7.0782]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tl3ZnCl6]
_chemical_formula_sum '[Tl12 Zn4 Cl24]'
_cell_volume [1307.9161]
_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  8  0.1792  0.1033  0.0192  1.0
  Tl  Tl1  4  0.0000  0.4181  0.1218  1.0
  Zn  Zn2  4  0.0000  0.2045  0.4599  1.0
  Cl  Cl3  8  0.1424  0.2753  0.3029  1.0
  Cl  Cl4  8  0.1470  0.4629  0.8274  1.0
  Cl  Cl5  4  0.0000  0.0581  0.3576  1.0
  Cl  Cl6  4  0.0000  0.2182  0.7763  1.0
]