data_[Hg4B8Cl24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  B  2.0400  0.8500  0.4100
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [16.9055]
_cell_length_b [11.0126]
_cell_length_c [8.1440]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8773]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Hg(BCl3)2]
_chemical_formula_sum '[Hg4 B8 Cl24]'
_cell_volume [1434.6491]
_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
[
  Hg  Hg0  4  0.0000  0.0252  0.2500  1.0
  B  B1  8  0.1720  0.4146  0.7329  1.0
  Cl  Cl2  8  0.1180  0.4481  0.1823  1.0
  Cl  Cl3  8  0.1223  0.2787  0.6478  1.0
  Cl  Cl4  8  0.2243  0.0870  0.1309  1.0
]