data_Hg2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.18
_cell_length_b   9.18
_cell_length_c   4.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2Br
_chemical_formula_sum   'Hg6 Br3'
_cell_volume   323.31
_cell_formula_units_Z   3
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  Hg3  1  0.21  0.0  0.22  1.0
  Hg  Hg4  1  0.9  0.91  0.22  1.0
  Hg  Hg5  1  0.49  0.04  0.22  1.0
  Hg  Hg6  1  0.05  0.0  0.0  1.0
  Hg  Hg7  1  0.97  0.51  0.0  1.0
  Hg  Hg8  1  0.56  0.44  0.0  1.0
  Br  Br0  1  0.0  0.3  0.22  1.0
  Br  Br1  1  0.59  0.65  0.22  1.0
  Br  Br2  1  0.0  0.0  0.0  1.0

data_Hg2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.43
_cell_length_b   9.18
_cell_length_c   9.18
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2Br
_chemical_formula_sum   'Hg6 Br3'
_cell_volume   323.31
_cell_formula_units_Z   3
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  1  0.0  0.05  0.0  1.0
  Hg  Hg1  1  0.0  0.56  0.44  1.0
  Hg  Hg2  1  0.0  0.97  0.51  1.0
  Hg  Hg3  1  0.22  0.21  0.0  1.0
  Hg  Hg4  1  0.22  0.49  0.04  1.0
  Hg  Hg5  1  0.22  0.9  0.91  1.0
  Br  Br6  1  0.0  0.0  0.0  1.0
  Br  Br7  1  0.22  -0.0  0.3  1.0
  Br  Br8  1  0.22  0.59  0.65  1.0

Hg Hg Hg Hg Hg Hg Br Br Br
Hg5Br2HgBr is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one mercury(i) bromide, monomer molecule and one Hg5Br2 cluster. In the Hg5Br2 cluster, there are five inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a distorted bent 150 degrees geometry to one Hg(3) and one Hg(4) atom. The Hg(1)-Hg(3) bond length is 2.42 Å. The Hg(1)-Hg(4) bond length is 1.69 Å. In the second Hg site, Hg(2) is bonded in a distorted single-bond geometry to one Br(2) and one Br(3) atom. The Hg(2)-Br(2) bond length is 2.64 Å. The Hg(2)-Br(3) bond length is 1.31 Å. In the third Hg site, Hg(3) is bonded in a single-bond geometry to one Hg(1) atom. In the fourth Hg site, Hg(4) is bonded in a single-bond geometry to one Hg(1) and one Br(3) atom. The Hg(4)-Br(3) bond length is 0.50 Å. In the fifth Hg site, Hg(6) is bonded in a single-bond geometry to one Br(2) atom. The Hg(6)-Br(2) bond length is 2.08 Å. There are two inequivalent Br sites. In the first Br site, Br(2) is bonded in a bent 120 degrees geometry to one Hg(2) and one Hg(6) atom. In the second Br site, Br(3) is bonded in a distorted bent 120 degrees geometry to one Hg(2) and one Hg(4) atom.