data_Ba2HgPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.74
_cell_length_b   4.85
_cell_length_c   6.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2HgPd
_chemical_formula_sum   'Ba2 Hg1 Pd1'
_cell_volume   155.73
_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
  Ba  Ba0  1  0.37  0.43  0.94  1.0
  Ba  Ba1  1  0.0  0.0  0.5  1.0
  Hg  Hg2  1  0.37  0.43  0.57  1.0
  Pd  Pd3  1  0.0  0.0  0.9  1.0

data_Ba2HgPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.74
_cell_length_b   4.85
_cell_length_c   6.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2HgPd
_chemical_formula_sum   'Ba2 Hg1 Pd1'
_cell_volume   155.73
_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
  Ba  Ba0  1  0.0  0.0  0.5  1.0
  Ba  Ba1  1  0.37  0.43  0.94  1.0
  Hg  Hg2  1  0.37  0.43  0.57  1.0
  Pd  Pd3  1  0.0  0.0  0.9  1.0

Ba Ba Hg Pd
Ba Ba Hg Pd 0 3 o o o 0 2 o o o 1 3 o o o 1 2 o o o 
Ba2PdHg crystallizes in the triclinic P1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 5-coordinate geometry to four equivalent Pd(1) and one Hg(1) atom. There are a spread of Ba(1)-Pd(1) bond distances ranging from 2.73-4.09 Å. The Ba(1)-Hg(1) bond length is 2.51 Å. In the second Ba site, Ba(2) is bonded in a 6-coordinate geometry to two equivalent Pd(1) and four equivalent Hg(1) atoms. There is one shorter (2.70 Å) and one longer (4.07 Å) Ba(2)-Pd(1) bond length. There are a spread of Ba(2)-Hg(1) bond distances ranging from 2.76-4.11 Å. Pd(1) is bonded in a 6-coordinate geometry to two equivalent Ba(2) and four equivalent Ba(1) atoms. Hg(1) is bonded in a 2-coordinate geometry to one Ba(1) and four equivalent Ba(2) atoms.