data_[In12I36O108]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  I  2.6600  1.4000  1.2733
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3c]
_cell_length_a [11.2176]
_cell_length_b [11.2176]
_cell_length_c [20.8537]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [167]
_chemical_formula_structural [In(IO3)3]
_chemical_formula_sum '[In12 I36 O108]'
_cell_volume [2272.5477]
_cell_formula_units_Z [12]
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
[
  In  In0  12  0.0000  0.0000  0.1556  1
  I  I1  36  0.0069  0.3242  0.6571  1
  O  O2  36  0.0476  0.1745  0.2251  1
  O  O3  36  0.0662  0.2033  0.8737  1
  O  O4  36  0.0667  0.5289  0.1894  1
]