data_[I4N4O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  I  2.6600  1.4000  1.2733
  N  3.0400  0.6500  0.6300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.9452]
_cell_length_b [4.0764]
_cell_length_c [5.6802]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.4377]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [INO]
_chemical_formula_sum '[I4 N4 O4]'
_cell_volume [202.2655]
_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
[
  I  I0  4  0.2034  0.0000  0.7655  1
  N  N1  4  0.2447  0.5000  0.8754  1
  O  O2  4  0.1258  0.5000  0.3634  1
]