# generated using pymatgen
data_I3N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.10896100
_cell_length_b   9.34244900
_cell_length_c   10.44803100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   I3N
_chemical_formula_sum   'I12 N4'
_cell_volume   693.90708203
_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  0.25000000  0.14762700  0.65871700  1.0
  I  I1  1  0.25000000  0.35237300  0.15871700  1.0
  I  I2  1  0.75000000  0.85237300  0.34128300  1.0
  I  I3  1  0.75000000  0.64762700  0.84128300  1.0
  I  I4  1  0.25000000  0.95615700  0.87948600  1.0
  I  I5  1  0.25000000  0.54384300  0.37948600  1.0
  I  I6  1  0.75000000  0.04384300  0.12051400  1.0
  I  I7  1  0.75000000  0.45615700  0.62051400  1.0
  I  I8  1  0.25000000  0.75005800  0.07925500  1.0
  I  I9  1  0.25000000  0.74994200  0.57925500  1.0
  I  I10  1  0.75000000  0.24994200  0.92074500  1.0
  I  I11  1  0.75000000  0.25005800  0.42074500  1.0
  N  N12  1  0.25000000  0.03237500  0.33355500  1.0
  N  N13  1  0.25000000  0.46762500  0.83355500  1.0
  N  N14  1  0.75000000  0.96762500  0.66644500  1.0
  N  N15  1  0.75000000  0.53237500  0.16644500  1.0