# generated using pymatgen
data_I
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.22521415
_cell_length_b   3.22521394
_cell_length_c   4.48249833
_cell_angle_alpha   109.41632115
_cell_angle_beta   109.41630128
_cell_angle_gamma   94.35632241
_symmetry_Int_Tables_number   1
_chemical_formula_structural   I
_chemical_formula_sum   I1
_cell_volume   40.55268080
_cell_formula_units_Z   1
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  -0.00000000  0.00000000  1.0