data_[Li4Al4In4I20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Al  1.6100  1.2500  0.6750
  In  1.7800  1.5500  0.9400
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.4896]
_cell_length_b [13.4142]
_cell_length_c [10.2113]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.8934]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LiAlInI5]
_chemical_formula_sum '[Li4 Al4 In4 I20]'
_cell_volume [1333.1897]
_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  0.0000  0.0000  1.0
  Al  Al1  4  0.0000  0.3359  0.7500  1.0
  In  In2  4  0.0000  0.3099  0.2500  1.0
  I  I3  8  0.1208  0.2236  0.6240  1.0
  I  I4  8  0.1749  0.4422  0.9425  1.0
  I  I5  4  0.0000  0.0699  0.2500  1.0
]