data_HgOsPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.41
_cell_length_b   4.41
_cell_length_c   4.41
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgOsPd
_chemical_formula_sum   'Hg1 Os1 Pd1'
_cell_volume   60.68
_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  0.56  0.56  0.56  1.0
  Os  Os1  1  0.12  0.12  0.12  1.0
  Pd  Pd2  1  0.0  0.0  0.0  1.0

data_HgOsPd
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.41
_cell_length_b   4.41
_cell_length_c   10.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   HgOsPd
_chemical_formula_sum   'Hg3 Os3 Pd3'
_cell_volume   182.04
_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  0.44  1.0
  Os  Os1  3  0.0  0.0  0.88  1.0
  Pd  Pd2  3  0.0  0.0  1.0  1.0

Hg Os Pd
OsPdHg crystallizes in the trigonal R3m space group. Os(1) is bonded to one Pd(1) and three equivalent Hg(1) atoms to form distorted OsHg3Pd tetrahedra that share corners with three equivalent Hg(1)Os3Pd3 octahedra, corners with three equivalent Pd(1)Hg3Os tetrahedra, corners with six equivalent Os(1)Hg3Pd tetrahedra, and edges with three equivalent Pd(1)Hg3Os tetrahedra. The corner-sharing octahedral tilt angles are 66°. The Os(1)-Pd(1) bond length is 1.28 Å. All Os(1)-Hg(1) bond lengths are 2.80 Å. Pd(1) is bonded to one Os(1) and three equivalent Hg(1) atoms to form distorted PdHg3Os tetrahedra that share corners with three equivalent Hg(1)Os3Pd3 octahedra, corners with three equivalent Os(1)Hg3Pd tetrahedra, corners with six equivalent Pd(1)Hg3Os tetrahedra, and edges with three equivalent Os(1)Hg3Pd tetrahedra. The corner-sharing octahedral tilt angles are 66°. All Pd(1)-Hg(1) bond lengths are 2.80 Å. Hg(1) is bonded to three equivalent Os(1) and three equivalent Pd(1) atoms to form distorted HgOs3Pd3 octahedra that share corners with three equivalent Os(1)Hg3Pd tetrahedra, corners with three equivalent Pd(1)Hg3Os tetrahedra, and edges with six equivalent Hg(1)Os3Pd3 octahedra.