data_[Cs4Li4In8I16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Li  0.9800  1.4500  0.9000
  In  1.7800  1.5500  0.9400
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [10.1379]
_cell_length_b [10.1553]
_cell_length_c [14.4057]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [CsLi(InI2)2]
_chemical_formula_sum '[Cs4 Li4 In8 I16]'
_cell_volume [1483.1135]
_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
[
  Cs  Cs0  4  0.2500  0.2500  0.2500  1.0
  Li  Li1  4  0.0000  0.0000  0.0000  1.0
  In  In2  4  0.0000  0.0000  0.5000  1.0
  In  In3  4  0.2500  0.2500  0.7500  1.0
  I  I4  8  0.0000  0.0179  0.8038  1.0
  I  I5  8  0.2395  0.7500  0.4908  1.0
]