data_[Na4Tl4Zn8I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [15.1346]
_cell_length_b [14.8172]
_cell_length_c [7.6767]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.2844]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [NaTl(ZnI3)2]
_chemical_formula_sum '[Na4 Tl4 Zn8 I24]'
_cell_volume [1693.8700]
_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
[
  Na  Na0  4  0.0000  0.2898  0.2500  1
  Tl  Tl1  4  0.0000  0.1015  0.7500  1
  Zn  Zn2  8  0.2003  0.4179  0.7760  1
  I  I3  8  0.1242  0.0964  0.1787  1
  I  I4  8  0.1274  0.2745  0.6170  1
  I  I5  8  0.1447  0.4319  0.0919  1
]