data_[Hg2H2S2Br2]
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
  S  2.5800  1.0000  0.8800
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.5607]
_cell_length_b [4.1528]
_cell_length_c [7.4394]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.8154]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [HgHSBr]
_chemical_formula_sum '[Hg2 H2 S2 Br2]'
_cell_volume [219.7361]
_cell_formula_units_Z [2]
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  2  0.0941  0.0000  0.6877  1.0
  H  H1  2  0.4030  0.0000  0.3254  1.0
  S  S2  2  0.3947  0.0000  0.5042  1.0
  Br  Br3  2  0.4372  0.0000  0.0126  1.0
]