data_HgPtBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.52
_cell_length_b   6.52
_cell_length_c   6.52
_cell_angle_alpha   147.69
_cell_angle_beta   109.01
_cell_angle_gamma   80.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgPtBr2
_chemical_formula_sum   'Hg1 Pt1 Br2'
_cell_volume   136.79
_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  Hg2  1  0.0  0.0  0.99  1.0
  Pt  Pt3  1  0.0  0.0  0.0  1.0
  Br  Br0  1  0.0  0.78  0.32  1.0
  Br  Br1  1  0.81  0.0  0.67  1.0

data_HgPtBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.63
_cell_length_b   6.52
_cell_length_c   6.52
_cell_angle_alpha   70.99
_cell_angle_beta   73.84
_cell_angle_gamma   73.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgPtBr2
_chemical_formula_sum   'Hg1 Pt1 Br2'
_cell_volume   136.79
_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  0.0  0.0  0.99  1.0
  Pt  Pt1  1  0.0  0.0  0.0  1.0
  Br  Br2  1  0.0  0.19  0.67  1.0
  Br  Br3  1  0.78  -0.0  0.54  1.0

Hg Pt Br Br
PtHgBr2 is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one PtHgBr2 cluster. Pt(1) is bonded in a single-bond geometry to one Hg(1) atom. The Pt(1)-Hg(1) bond length is 0.10 Å. Hg(1) is bonded in a bent 150 degrees geometry to one Pt(1) and one Br(2) atom. The Hg(1)-Br(2) bond length is 2.04 Å. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a 1-coordinate geometry to one Br(2) atom. The Br(1)-Br(2) bond length is 2.09 Å. In the second Br site, Br(2) is bonded in a single-bond geometry to one Hg(1) and one Br(1) atom.