data_[Li2In6I12]
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 [P2_1/c]
_cell_length_a [7.7780]
_cell_length_b [8.4914]
_cell_length_c [13.7348]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.1109]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Li(InI2)3]
_chemical_formula_sum '[Li2 In6 I12]'
_cell_volume [751.0626]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.0000  1
  In  In1  4  0.2091  0.6075  0.2502  1
  In  In2  2  0.5000  0.0000  0.5000  1
  I  I3  4  0.1356  0.6824  0.9522  1
  I  I4  4  0.2731  0.1940  0.9528  1
  I  I5  4  0.3572  0.5133  0.7491  1
]