data_[Re4Hg4Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Re  1.9000  1.3500  0.7125
  Hg  2.0000  1.5000  1.2450
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [22.3527]
_cell_length_b [6.8614]
_cell_length_c [4.8052]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.5877]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ReHgCl4]
_chemical_formula_sum '[Re4 Hg4 Cl16]'
_cell_volume [735.5321]
_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  0.0371  0.5000  0.3506  1
  Hg  Hg1  4  0.1979  0.5000  0.7563  1
  Cl  Cl2  8  0.1044  0.2707  0.5212  1
  Cl  Cl3  4  0.0000  0.2723  0.0000  1
  Cl  Cl4  4  0.2461  0.0000  0.7649  1
]