data_[Li4In8I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [C2/c]
_cell_length_a [16.7537]
_cell_length_b [15.4959]
_cell_length_c [9.2486]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.7724]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Li(InI3)2]
_chemical_formula_sum '[Li4 In8 I24]'
_cell_volume [2041.2472]
_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  0.1815  0.7500  1.0
  In  In1  8  0.2041  0.4082  0.8033  1.0
  I  I2  8  0.1022  0.0787  0.0460  1.0
  I  I3  8  0.1328  0.4846  0.0012  1.0
  I  I4  8  0.1399  0.2384  0.6919  1.0
]