# generated using pymatgen
data_I
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.62909281
_cell_length_b   4.48326132
_cell_length_c   9.79618588
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   121.08196305
_symmetry_Int_Tables_number   1
_chemical_formula_structural   I
_chemical_formula_sum   I4
_cell_volume   174.11598838
_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  0.84091532  -0.00000000  0.37997294  1.0
  I  I1  1  0.15908468  0.00000000  0.62002706  1.0
  I  I2  1  0.65908468  0.00000000  0.87997294  1.0
  I  I3  1  0.34091532  -0.00000000  0.12002706  1.0