data_[Hf8I32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.5787]
_cell_length_b [12.4946]
_cell_length_c [13.2938]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.0495]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [HfI4]
_chemical_formula_sum '[Hf8 I32]'
_cell_volume [1892.8158]
_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
[
  Hf  Hf0  8  0.0738  0.1344  0.6237  1.0
  I  I1  8  0.0491  0.3497  0.6102  1.0
  I  I2  8  0.0589  0.1093  0.1121  1.0
  I  I3  8  0.1593  0.1126  0.8605  1.0
  I  I4  8  0.2062  0.3785  0.3640  1.0
]