# generated using pymatgen
data_IN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.85864122
_cell_length_b   6.85864122
_cell_length_c   6.85864122
_cell_angle_alpha   130.28102642
_cell_angle_beta   99.70372624
_cell_angle_gamma   100.65584620
_symmetry_Int_Tables_number   1
_chemical_formula_structural   IN2
_chemical_formula_sum   'I2 N4'
_cell_volume   223.31671927
_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  1  0.00000000  0.75000000  0.75000000  1.0
  I  I1  1  0.00000000  0.25000000  0.25000000  1.0
  N  N2  1  0.49817300  0.65741800  0.84075500  1.0
  N  N3  1  0.50182700  0.34258200  0.15924500  1.0
  N  N4  1  0.18333700  0.84258200  0.34075500  1.0
  N  N5  1  0.81666300  0.15741800  0.65924500  1.0