data_[Li4Zn4In8I20]
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
  In  1.7800  1.5500  0.9400
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.3817]
_cell_length_b [21.0133]
_cell_length_c [14.6886]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiZnIn2I5]
_chemical_formula_sum '[Li4 Zn4 In8 I20]'
_cell_volume [1352.4206]
_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
[
  Li  Li0  4  0.0000  0.2105  0.0342  1.0
  Zn  Zn1  4  0.0000  0.4365  0.4204  1.0
  In  In2  4  0.0000  0.1300  0.3271  1.0
  In  In3  4  0.0000  0.1413  0.6829  1.0
  I  I4  4  0.0000  0.0391  0.0233  1.0
  I  I5  4  0.0000  0.2996  0.6670  1.0
  I  I6  4  0.0000  0.3133  0.3860  1.0
  I  I7  4  0.0000  0.3450  0.0118  1.0
  I  I8  4  0.0000  0.4970  0.7714  1.0
]