data_[Hg4B4Br4F16]
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
  Br  2.9600  1.1500  0.8825
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.1949]
_cell_length_b [7.5239]
_cell_length_c [8.7801]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.5456]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [HgBBrF4]
_chemical_formula_sum '[Hg4 B4 Br4 F16]'
_cell_volume [573.9571]
_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  0.1761  0.0000  0.2087  1.0
  B  B1  4  0.1241  0.5000  0.3226  1.0
  Br  Br2  4  0.1443  0.0000  0.9061  1.0
  F  F3  8  0.1335  0.3467  0.2383  1.0
  F  F4  4  0.0049  0.5000  0.6617  1.0
  F  F5  4  0.2359  0.0000  0.4936  1.0
]