data_[Tl8Zn8Cl24]
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 [C2/c]
_cell_length_a [14.0481]
_cell_length_b [13.5496]
_cell_length_c [7.0478]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.2200]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TlZnCl3]
_chemical_formula_sum '[Tl8 Zn8 Cl24]'
_cell_volume [1320.2338]
_cell_formula_units_Z [8]
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  0.1031  0.2500  1.0
  Tl  Tl1  4  0.0000  0.3114  0.7500  1.0
  Zn  Zn2  8  0.2155  0.4133  0.2629  1.0
  Cl  Cl3  8  0.1212  0.0974  0.6869  1.0
  Cl  Cl4  8  0.1393  0.2725  0.1529  1.0
  Cl  Cl5  8  0.1557  0.4569  0.5478  1.0
]