data_[Re2I10]
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 [Pmc2_1]
_cell_length_a [19.3921]
_cell_length_b [7.6367]
_cell_length_c [14.0980]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [ReI5]
_chemical_formula_sum '[Re2 I10]'
_cell_volume [2087.7946]
_cell_formula_units_Z [2]
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  2  0.0000  0.0772  0.3980  1
  I  I1  4  0.1131  0.1754  0.3160  1
  I  I2  2  0.0000  0.1054  0.0523  1
  I  I3  2  0.0000  0.2181  0.7954  1
  I  I4  2  0.0000  0.3711  0.5020  1
]