# generated using pymatgen
data_HIN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79266002
_cell_length_b   4.79266002
_cell_length_c   4.79266002
_cell_angle_alpha   113.74987480
_cell_angle_beta   113.74987480
_cell_angle_gamma   101.21613682
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HIN2
_chemical_formula_sum   'H2 I2 N4'
_cell_volume   83.45162396
_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  0.00000000  0.50000000  0.50000000  1.0
  H  H1  1  0.50000000  0.00000000  0.50000000  1.0
  I  I2  1  0.75000000  0.75000000  0.00000000  1.0
  I  I3  1  0.25000000  0.25000000  0.00000000  1.0
  N  N4  1  0.17405700  0.67405700  0.84811500  1.0
  N  N5  1  0.82594300  0.32594300  0.15188500  1.0
  N  N6  1  0.67405700  0.82594300  0.50000000  1.0
  N  N7  1  0.32594300  0.17405700  0.50000000  1.0