data_[Li8Zn8I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [15.0526]
_cell_length_b [15.1340]
_cell_length_c [7.5202]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.2296]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LiZnI3]
_chemical_formula_sum '[Li8 Zn8 I24]'
_cell_volume [1574.2577]
_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
[
  Li  Li0  4  0.0000  0.1926  0.7500  1.0
  Li  Li1  4  0.0000  0.2131  0.2500  1.0
  Zn  Zn2  8  0.2092  0.4190  0.7760  1.0
  I  I3  8  0.1015  0.0962  0.0951  1.0
  I  I4  8  0.1307  0.2669  0.6127  1.0
  I  I5  8  0.1453  0.4384  0.0580  1.0
]