data_[Tl4Zn8I24]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.1605]
_cell_length_b [13.5484]
_cell_length_c [7.7418]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.7487]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tl(ZnI3)2]
_chemical_formula_sum '[Tl4 Zn8 I24]'
_cell_volume [1537.7824]
_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  0.1531  0.2500  1.0
  Zn  Zn1  8  0.2088  0.4233  0.2616  1.0
  I  I2  8  0.1130  0.0693  0.6498  1.0
  I  I3  8  0.1339  0.4315  0.5354  1.0
  I  I4  8  0.1576  0.2510  0.0996  1.0
]