data_[Hg4B8F24]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.2717]
_cell_length_b [10.5757]
_cell_length_c [4.9985]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.3857]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [HgB2F6]
_chemical_formula_sum '[Hg4 B8 F24]'
_cell_volume [707.1827]
_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  0.0966  0.7500  1.0
  B  B1  8  0.1605  0.3750  0.6426  1.0
  F  F2  8  0.1113  0.3096  0.4107  1.0
  F  F3  8  0.1133  0.4195  0.8114  1.0
  F  F4  8  0.2416  0.1067  0.2828  1.0
]