data_[Hg4H8Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  H  2.2000  0.2500  0.0000
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.3254]
_cell_length_b [12.0777]
_cell_length_c [5.3243]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0335]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Hg(HBr)2]
_chemical_formula_sum '[Hg4 H8 Br8]'
_cell_volume [792.5840]
_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  0.0917  0.2500  1
  H  H1  8  0.1916  0.4766  0.4140  1
  Br  Br2  8  0.1904  0.3910  0.2175  1
]