data_[In4I4Cl4O16]
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
  Cl  3.1600  1.0000  0.7800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.1669]
_cell_length_b [7.0818]
_cell_length_c [6.8806]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.0282]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [InIClO4]
_chemical_formula_sum '[In4 I4 Cl4 O16]'
_cell_volume [478.4610]
_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
[
  In  In0  4  0.2094  0.0000  0.1152  1
  I  I1  4  0.1308  0.5000  0.2898  1
  Cl  Cl2  4  0.0262  0.0000  0.7771  1
  O  O3  8  0.1901  0.3156  0.1338  1
  O  O4  4  0.0598  0.5000  0.7612  1
  O  O5  4  0.2432  0.0000  0.4571  1
]