data_OsPd4Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   5.18
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   OsPd4Au
_chemical_formula_sum   'Os1 Pd4 Au1'
_cell_volume   98.49
_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
  Os  Os1  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.58  0.58  0.75  1.0
  Pd  Pd3  1  0.58  0.75  0.58  1.0
  Pd  Pd4  1  0.75  0.58  0.58  1.0
  Pd  Pd5  1  0.75  0.75  0.75  1.0
  Au  Au0  1  0.5  0.5  0.5  1.0

data_OsPd4Au
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   12.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   OsPd4Au
_chemical_formula_sum   'Os3 Pd12 Au3'
_cell_volume   295.48
_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
  Pd  Pd0  9  0.06  0.11  0.36  1.0
  Os  Os1  3  0.0  0.0  0.0  1.0
  Pd  Pd2  3  0.0  0.0  0.25  1.0
  Au  Au3  3  0.0  0.0  0.5  1.0

Os Pd Pd Pd Pd Au
Os Pd Pd Pd Pd Au 0 4 - - - 0 4 - - o 0 4 - o - 0 4 o - - 0 3 - - o 0 3 - o - 0 2 - - o 0 2 o - - 0 1 - o - 0 1 o - - 1 3 o o o 1 2 o o o 1 4 o o o 1 5 o o o 2 3 o o o 2 4 o o o 2 5 o o o 3 4 o o o 3 5 o o o 
OsPd4Au crystallizes in the trigonal R3m space group. Os(1) is bonded in a 7-coordinate geometry to one Pd(2) and six equivalent Pd(1) atoms. The Os(1)-Pd(2) bond length is 3.20 Å. All Os(1)-Pd(1) bond lengths are 2.80 Å. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 2-coordinate geometry to two equivalent Os(1), one Pd(2), two equivalent Pd(1), and one Au(1) atom. The Pd(1)-Pd(2) bond length is 1.48 Å. Both Pd(1)-Pd(1) bond lengths are 0.86 Å. The Pd(1)-Au(1) bond length is 1.84 Å. In the second Pd site, Pd(2) is bonded in a 6-coordinate geometry to one Os(1), three equivalent Pd(1), and three equivalent Au(1) atoms. All Pd(2)-Au(1) bond lengths are 3.18 Å. Au(1) is bonded in a 6-coordinate geometry to three equivalent Pd(1) and three equivalent Pd(2) atoms.