data_[Re4I16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Re  1.9000  1.3500  0.7125
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.9073]
_cell_length_b [7.1910]
_cell_length_c [9.5029]
_cell_angle_alpha [90.0000]
_cell_angle_beta [129.4803]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ReI4]
_chemical_formula_sum '[Re4 I16]'
_cell_volume [733.5287]
_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
[
  Re  Re0  4  0.0000  0.1961  0.0000  1
  I  I1  8  0.0213  0.2342  0.3003  1
  I  I2  4  0.1694  0.5000  0.1427  1
  I  I3  4  0.2102  0.0000  0.1754  1
]