data_Hg2PbBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.02
_cell_length_b   6.02
_cell_length_c   6.02
_cell_angle_alpha   132.61
_cell_angle_beta   132.61
_cell_angle_gamma   69.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2PbBr
_chemical_formula_sum   'Hg2 Pb1 Br1'
_cell_volume   116.06
_cell_formula_units_Z   1
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  Hg1  1  0.42  0.0  0.48  1.0
  Hg  Hg2  1  0.0  0.0  0.95  1.0
  Pb  Pb3  1  0.0  0.42  0.48  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_Hg2PbBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.84
_cell_length_b   4.84
_cell_length_c   6.02
_cell_angle_alpha   113.7
_cell_angle_beta   113.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2PbBr
_chemical_formula_sum   'Hg2 Pb1 Br1'
_cell_volume   116.06
_cell_formula_units_Z   1
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  0.48  0.06  0.06  1.0
  Hg  Hg1  1  0.95  0.95  0.95  1.0
  Pb  Pb2  1  0.06  0.48  0.06  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

Hg Hg Pb Br
Hg2PbBr is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Hg2PbBr cluster. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a distorted single-bond geometry to one Br(1) atom. The Hg(1)-Br(1) bond length is 2.19 Å. In the second Hg site, Hg(2) is bonded in a single-bond geometry to one Br(1) atom. The Hg(2)-Br(1) bond length is 0.28 Å. Pb(1) is bonded in a 1-coordinate geometry to one Br(1) atom. The Pb(1)-Br(1) bond length is 2.19 Å. Br(1) is bonded in a single-bond geometry to one Hg(1), one Hg(2), and one Pb(1) atom.