data_AlHg2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.12
_cell_length_b   5.09
_cell_length_c   4.91
_cell_angle_alpha   90.0
_cell_angle_beta   93.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlHg2Pd
_chemical_formula_sum   'Al1 Hg2 Pd1'
_cell_volume   77.96
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.67  0.54  0.24  1.0
  Hg  Hg2  1  0.16  0.54  0.66  1.0
  Pd  Pd3  1  0.41  0.0  0.45  1.0

data_AlHg2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   4.91
_cell_length_c   5.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlHg2Pd
_chemical_formula_sum   'Al1 Hg2 Pd1'
_cell_volume   77.96
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.33  0.76  0.46  1.0
  Hg  Hg2  1  0.84  0.34  0.46  1.0
  Pd  Pd3  1  0.59  0.55  0.0  1.0

Al Hg Hg Pd
PdHg2Al crystallizes in the triclinic P1 space group. Pd(1) is bonded in a 1-coordinate geometry to two equivalent Hg(1), two equivalent Hg(2), and one Al(1) atom. There is one shorter (2.68 Å) and one longer (3.07 Å) Pd(1)-Hg(1) bond length. There is one shorter (2.68 Å) and one longer (3.07 Å) Pd(1)-Hg(2) bond length. The Pd(1)-Al(1) bond length is 2.50 Å. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a 9-coordinate geometry to two equivalent Pd(1), two equivalent Hg(1), three equivalent Hg(2), and two equivalent Al(1) atoms. Both Hg(1)-Hg(1) bond lengths are 3.12 Å. There are a spread of Hg(1)-Hg(2) bond distances ranging from 2.50-3.17 Å. There is one shorter (2.83 Å) and one longer (3.21 Å) Hg(1)-Al(1) bond length. In the second Hg site, Hg(2) is bonded in a 5-coordinate geometry to two equivalent Pd(1), three equivalent Hg(1), and one Al(1) atom. The Hg(2)-Al(1) bond length is 2.92 Å. Al(1) is bonded in a 1-coordinate geometry to one Pd(1), one Hg(2), and two equivalent Hg(1) atoms.