data_Hg2PPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   5.96
_cell_angle_alpha   105.52
_cell_angle_beta   105.52
_cell_angle_gamma   35.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2PPd
_chemical_formula_sum   'Hg2 P1 Pd1'
_cell_volume   90.32
_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  0.37  0.0  0.38  1.0
  Hg  Hg1  1  0.23  0.0  0.35  1.0
  P  P2  1  0.2  0.0  0.73  1.0
  Pd  Pd3  1  0.67  0.0  0.11  1.0

data_Hg2PPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   5.24
_cell_length_c   5.96
_cell_angle_alpha   105.52
_cell_angle_beta   90.0
_cell_angle_gamma   107.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2PPd
_chemical_formula_sum   'Hg2 P1 Pd1'
_cell_volume   90.32
_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  0.63  0.62  1.0
  Hg  Hg1  1  0.0  0.77  0.65  1.0
  P  P2  1  0.0  0.8  0.27  1.0
  Pd  Pd3  1  0.0  0.33  0.89  1.0

Hg Hg P Pd
Hg Hg P Pd 0 1 o o o 0 2 o o o 0 3 o o o 1 2 o o o 1 3 o o o 1 3 - o o 2 3 o o + 3 3 + - o 
PdHg2P crystallizes in the triclinic P1 space group. Pd(1) is bonded in a 5-coordinate geometry to two equivalent Pd(1), one Hg(1), one Hg(2), and one P(1) atom. Both Pd(1)-Pd(1) bond lengths are 3.16 Å. The Pd(1)-Hg(1) bond length is 2.56 Å. The Pd(1)-Hg(2) bond length is 2.91 Å. The Pd(1)-P(1) bond length is 2.85 Å. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a distorted single-bond geometry to one Pd(1), one Hg(2), and one P(1) atom. The Hg(1)-Hg(2) bond length is 0.68 Å. The Hg(1)-P(1) bond length is 2.46 Å. In the second Hg site, Hg(2) is bonded in a distorted single-bond geometry to one Pd(1), one Hg(1), and one P(1) atom. The Hg(2)-P(1) bond length is 2.31 Å. P(1) is bonded in a distorted trigonal non-coplanar geometry to one Pd(1), one Hg(1), and one Hg(2) atom.