data_[I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.8095]
_cell_length_b [7.3529]
_cell_length_c [9.6796]
_cell_angle_alpha [74.5178]
_cell_angle_beta [84.5966]
_cell_angle_gamma [83.8990]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [I]
_chemical_formula_sum '[I8]'
_cell_volume [463.3278]
_cell_formula_units_Z [8]
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  2  0.1441  0.9474  0.1908  1.0
  I  I1  2  0.2063  0.7259  0.4900  1.0
  I  I2  2  0.2839  0.5213  0.7840  1.0
  I  I3  2  0.4250  0.2219  0.1902  1.0
]