data_HgBPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.41
_cell_length_b   4.41
_cell_length_c   3.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   98.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgBPd2
_chemical_formula_sum   'Hg1 B1 Pd2'
_cell_volume   60.75
_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  0.88  0.0  0.0  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.44  0.33  0.58  1.0
  Pd  Pd3  1  0.44  0.67  0.58  1.0

data_HgBPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   4.41
_cell_length_c   4.41
_cell_angle_alpha   98.54
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgBPd2
_chemical_formula_sum   'Hg1 B1 Pd2'
_cell_volume   60.75
_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  0.88  0.0  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.58  0.44  0.67  1.0
  Pd  Pd3  1  0.58  0.44  0.33  1.0

Hg B Pd Pd
Pd2HgB crystallizes in the triclinic P1 space group. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 8-coordinate geometry to two equivalent Pd(1), two equivalent Pd(2), two equivalent Hg(1), and two equivalent B(1) atoms. Both Pd(1)-Pd(1) bond lengths are 3.16 Å. There is one shorter (1.51 Å) and one longer (2.90 Å) Pd(1)-Pd(2) bond length. There is one shorter (2.91 Å) and one longer (3.17 Å) Pd(1)-Hg(1) bond length. There is one shorter (2.61 Å) and one longer (2.89 Å) Pd(1)-B(1) bond length. In the second Pd site, Pd(2) is bonded in a 2-coordinate geometry to two equivalent Pd(1) and one Hg(1) atom. The Pd(2)-Hg(1) bond length is 2.61 Å. Hg(1) is bonded in a distorted single-bond geometry to one Pd(2), two equivalent Pd(1), and one B(1) atom. The Hg(1)-B(1) bond length is 0.54 Å. B(1) is bonded in a single-bond geometry to two equivalent Pd(1) and one Hg(1) atom.