data_[Re2H4Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Re  1.9000  1.3500  0.7125
  H  2.2000  0.2500  0.0000
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.2872]
_cell_length_b [8.6006]
_cell_length_c [5.7130]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.9242]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Re(HCl4)2]
_chemical_formula_sum '[Re2 H4 Cl16]'
_cell_volume [650.4571]
_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  0.0000  0.0000  1
  H  H1  4  0.2175  0.5000  0.9188  1
  Cl  Cl2  8  0.0704  0.1879  0.2458  1
  Cl  Cl3  4  0.1425  0.5000  0.7578  1
  Cl  Cl4  4  0.1429  0.0000  0.7928  1
]