# generated using pymatgen
data_H4IN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.14945329
_cell_length_b   6.14945329
_cell_length_c   4.41368111
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H4IN
_chemical_formula_sum   'H8 I2 N2'
_cell_volume   166.90677516
_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
  H  H0  1  0.36243547  0.50000000  0.13469173  1.0
  H  H1  1  0.63756453  0.50000000  0.13469173  1.0
  H  H2  1  0.86243547  -0.00000000  0.86530827  1.0
  H  H3  1  0.13756453  -0.00000000  0.86530827  1.0
  H  H4  1  0.50000000  0.36243547  0.86530827  1.0
  H  H5  1  0.50000000  0.63756453  0.86530827  1.0
  H  H6  1  0.00000000  0.86243547  0.13469173  1.0
  H  H7  1  0.00000000  0.13756453  0.13469173  1.0
  I  I8  1  0.00000000  0.50000000  0.45147330  1.0
  I  I9  1  0.50000000  -0.00000000  0.54852670  1.0
  N  N10  1  0.50000000  0.50000000  0.00000000  1.0
  N  N11  1  0.00000000  -0.00000000  -0.00000000  1.0