data_I2N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.5
_cell_length_b   11.5
_cell_length_c   7.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   I2N3
_chemical_formula_sum   'I8 N12'
_cell_volume   935.91
_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  1  0.68  0.07  0.05  1.0
  I  I1  1  0.82  0.43  0.05  1.0
  I  I2  1  0.82  0.07  0.05  1.0
  I  I3  1  0.07  0.68  0.03  1.0
  I  I4  1  0.68  0.43  0.05  1.0
  I  I5  1  0.43  0.82  0.03  1.0
  I  I6  1  0.43  0.68  0.03  1.0
  I  I7  1  0.07  0.82  0.03  1.0
  N  N8  1  0.62  0.87  0.0  1.0
  N  N9  1  0.87  0.62  0.0  1.0
  N  N10  1  0.62  0.62  0.0  1.0
  N  N11  1  0.87  0.87  0.0  1.0
  N  N12  1  0.73  0.0  0.68  1.0
  N  N13  1  0.77  0.0  0.68  1.0
  N  N14  1  0.75  0.52  0.68  1.0
  N  N15  1  0.52  0.75  0.4  1.0
  N  N16  1  0.75  0.98  0.68  1.0
  N  N17  1  0.98  0.75  0.4  1.0
  N  N18  1  0.0  0.73  0.4  1.0
  N  N19  1  0.0  0.77  0.4  1.0

data_I2N3
_symmetry_space_group_name_H-M   P1
_cell_length_a   7.08
_cell_length_b   11.5
_cell_length_c   11.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   I2N3
_chemical_formula_sum   'I8 N12'
_cell_volume   935.91
_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  1  0.03  0.07  0.68  1.0
  I  I1  1  0.03  0.07  0.82  1.0
  I  I2  1  0.03  0.43  0.68  1.0
  I  I3  1  0.03  0.43  0.82  1.0
  I  I4  1  0.05  0.68  0.07  1.0
  I  I5  1  0.05  0.68  0.43  1.0
  I  I6  1  0.05  0.82  0.07  1.0
  I  I7  1  0.05  0.82  0.43  1.0
  N  N8  1  -0.0  0.87  0.87  1.0
  N  N9  1  -0.0  0.62  0.87  1.0
  N  N10  1  -0.0  0.87  0.62  1.0
  N  N11  1  -0.0  0.62  0.62  1.0
  N  N12  1  0.4  0.0  0.73  1.0
  N  N13  1  0.4  0.0  0.77  1.0
  N  N14  1  0.4  0.52  0.75  1.0
  N  N15  1  0.4  0.98  0.75  1.0
  N  N16  1  0.68  0.73  0.0  1.0
  N  N17  1  0.68  0.75  0.52  1.0
  N  N18  1  0.68  0.75  0.98  1.0
  N  N19  1  0.68  0.77  0.0  1.0

I I I I I I I I N N N N N N N N N N N N