data_Cu2HgPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   3.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   102.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2HgPd
_chemical_formula_sum   'Cu2 Hg1 Pd1'
_cell_volume   60.63
_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
  Cu  Cu0  1  0.41  0.77  0.52  1.0
  Cu  Cu1  1  0.41  0.23  0.52  1.0
  Hg  Hg2  1  0.83  0.0  0.0  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0

data_Cu2HgPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.03
_cell_length_b   4.53
_cell_length_c   4.53
_cell_angle_alpha   102.7
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2HgPd
_chemical_formula_sum   'Cu2 Hg1 Pd1'
_cell_volume   60.63
_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
  Cu  Cu0  1  0.52  0.41  0.23  1.0
  Cu  Cu1  1  0.52  0.41  0.77  1.0
  Hg  Hg2  1  0.0  0.83  0.0  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0

Cu Cu Hg Pd
PdCu2Hg crystallizes in the triclinic P1 space group. Pd(1) is bonded in a distorted single-bond geometry to two equivalent Cu(1), two equivalent Cu(2), and one Hg(1) atom. There is one shorter (2.76 Å) and one longer (2.82 Å) Pd(1)-Cu(1) bond length. There is one shorter (2.43 Å) and one longer (2.49 Å) Pd(1)-Cu(2) bond length. The Pd(1)-Hg(1) bond length is 0.79 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 6-coordinate geometry to two equivalent Pd(1), two equivalent Cu(2), and two equivalent Hg(1) atoms. There is one shorter (2.11 Å) and one longer (2.42 Å) Cu(1)-Cu(2) bond length. There is one shorter (2.43 Å) and one longer (2.49 Å) Cu(1)-Hg(1) bond length. In the second Cu site, Cu(2) is bonded in a 8-coordinate geometry to two equivalent Pd(1), two equivalent Cu(1), two equivalent Cu(2), and two equivalent Hg(1) atoms. Both Cu(2)-Cu(2) bond lengths are 3.03 Å. There is one shorter (2.76 Å) and one longer (2.82 Å) Cu(2)-Hg(1) bond length. Hg(1) is bonded in a single-bond geometry to one Pd(1), two equivalent Cu(1), and two equivalent Cu(2) atoms.