data_[I6N2O18]
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 [P-1]
_cell_length_a [8.2539]
_cell_length_b [8.4173]
_cell_length_c [8.5947]
_cell_angle_alpha [79.3171]
_cell_angle_beta [61.3602]
_cell_angle_gamma [68.1218]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [I3NO9]
_chemical_formula_sum '[I6 N2 O18]'
_cell_volume [486.3034]
_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
[
  I  I0  2  0.2036  0.2970  0.2025  1
  I  I1  2  0.2210  0.8038  0.2436  1
  I  I2  2  0.2319  0.2739  0.7677  1
  N  N3  2  0.2700  0.8617  0.8124  1
  O  O4  2  0.0143  0.1339  0.7626  1
  O  O5  2  0.0411  0.6332  0.6187  1
  O  O6  2  0.1154  0.2653  0.0301  1
  O  O7  2  0.1943  0.0043  0.3192  1
  O  O8  2  0.2300  0.5048  0.1233  1
  O  O9  2  0.3660  0.7554  0.7116  1
  O  O10  2  0.3911  0.8155  0.0066  1
  O  O11  2  0.3917  0.0518  0.7138  1
  O  O12  2  0.4218  0.3627  0.7102  1
]