data_[Hg4B4Cl4F16]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.2799]
_cell_length_b [7.4628]
_cell_length_c [7.7377]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.4633]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [HgBClF4]
_chemical_formula_sum '[Hg4 B4 Cl4 F16]'
_cell_volume [526.7137]
_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  0.1895  0.0000  0.1819  1.0
  B  B1  4  0.1098  0.5000  0.2973  1.0
  Cl  Cl2  4  0.0973  0.0000  0.8422  1.0
  F  F3  8  0.1275  0.3453  0.2093  1.0
  F  F4  4  0.0224  0.5000  0.6920  1.0
  F  F5  4  0.2334  0.5000  0.5010  1.0
]