data_Hg2PdAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.23
_cell_length_b   4.83
_cell_length_c   4.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2PdAu
_chemical_formula_sum   'Hg2 Pd1 Au1'
_cell_volume   77.53
_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  0.8  0.0  0.6  1.0
  Hg  Hg2  1  0.79  0.41  0.62  1.0
  Pd  Pd3  1  0.15  0.0  0.17  1.0
  Au  Au0  1  0.19  0.41  0.05  1.0

data_Hg2PdAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   4.83
_cell_length_c   4.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2PdAu
_chemical_formula_sum   'Hg2 Pd1 Au1'
_cell_volume   77.53
_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  0.79  0.41  0.62  1.0
  Hg  Hg1  1  0.8  0.0  0.6  1.0
  Pd  Pd2  1  0.15  0.0  0.17  1.0
  Au  Au3  1  0.19  0.41  0.05  1.0

Hg Hg Pd Au
PdAuHg2 crystallizes in the triclinic P1 space group. Pd(1) is bonded in a 1-coordinate geometry to one Au(1) and one Hg(1) atom. The Pd(1)-Au(1) bond length is 2.10 Å. The Pd(1)-Hg(1) bond length is 2.45 Å. Au(1) is bonded in a 2-coordinate geometry to one Pd(1) and three equivalent Hg(2) atoms. There are a spread of Au(1)-Hg(2) bond distances ranging from 2.46-3.16 Å. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a 2-coordinate geometry to one Pd(1) and two equivalent Hg(2) atoms. There is one shorter (2.01 Å) and one longer (2.83 Å) Hg(1)-Hg(2) bond length. In the second Hg site, Hg(2) is bonded in a 5-coordinate geometry to three equivalent Au(1) and two equivalent Hg(1) atoms.