data_HgGePd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   4.63
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgGePd2
_chemical_formula_sum   'Hg1 Ge1 Pd2'
_cell_volume   70.39
_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  0.64  0.64  0.64  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.28  0.28  0.28  1.0
  Pd  Pd3  1  0.92  0.92  0.92  1.0

data_HgGePd2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   11.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   HgGePd2
_chemical_formula_sum   'Hg3 Ge3 Pd6'
_cell_volume   211.18
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.36  1.0
  Ge  Ge1  3  0.0  0.0  0.0  1.0
  Pd  Pd2  3  0.0  0.0  0.08  1.0
  Pd  Pd3  3  0.0  0.0  0.72  1.0

Hg Ge Pd Pd
Hg Ge Pd Pd 0 2 o o + 0 2 o + o 0 2 + o o 0 1 o + + 0 1 + o + 0 1 + + o 0 3 - o o 0 3 o - o 0 3 o o - 0 3 o o o 1 3 - - - 1 2 o o o 1 2 o o - 1 2 o - o 1 2 - o o 2 3 - - o 2 3 - o - 2 3 o - - 
Pd2HgGe crystallizes in the trigonal R3m space group. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 10-coordinate geometry to three equivalent Pd(2), three equivalent Hg(1), and four equivalent Ge(1) atoms. All Pd(1)-Pd(2) bond lengths are 2.69 Å. All Pd(1)-Hg(1) bond lengths are 2.69 Å. There are three shorter (2.75 Å) and one longer (3.15 Å) Pd(1)-Ge(1) bond length. In the second Pd site, Pd(2) is bonded in a single-bond geometry to three equivalent Pd(1), four equivalent Hg(1), and one Ge(1) atom. There are three shorter (2.75 Å) and one longer (3.15 Å) Pd(2)-Hg(1) bond length. The Pd(2)-Ge(1) bond length is 0.96 Å. Hg(1) is bonded in a 10-coordinate geometry to three equivalent Pd(1), four equivalent Pd(2), and three equivalent Ge(1) atoms. All Hg(1)-Ge(1) bond lengths are 2.69 Å. Ge(1) is bonded in a single-bond geometry to one Pd(2), four equivalent Pd(1), and three equivalent Hg(1) atoms.