data_OsAu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   5.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   OsAu3
_chemical_formula_sum   'Os2 Au6'
_cell_volume   141.66
_cell_formula_units_Z   2
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  Os6  1  0.61  0.61  0.61  1.0
  Os  Os7  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.61  0.91  0.0  1.0
  Au  Au1  1  0.61  0.3  0.0  1.0
  Au  Au2  1  0.91  0.0  0.61  1.0
  Au  Au3  1  0.0  0.61  0.91  1.0
  Au  Au4  1  0.0  0.61  0.3  1.0
  Au  Au5  1  0.3  0.0  0.61  1.0

data_OsAu3
_symmetry_space_group_name_H-M   R3
_cell_length_a   7.37
_cell_length_b   7.37
_cell_length_c   9.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   OsAu3
_chemical_formula_sum   'Os6 Au18'
_cell_volume   424.99
_cell_formula_units_Z   6
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  'x+1/3, y+2/3, z+2/3'
  5  '-y+1/3, x-y+2/3, z+2/3'
  6  '-x+y+1/3, -x+2/3, z+2/3'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+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
  Os  Os0  3  0.0  0.0  0.0  1.0
  Os  Os1  3  0.0  0.0  0.61  1.0
  Au  Au2  9  0.0  0.7  0.3  1.0
  Au  Au3  9  0.07  0.23  0.84  1.0

Os Os Au Au Au Au Au Au
Os Os Au Au Au Au Au Au 0 7 o + o 0 3 o o + 0 6 + o o 0 5 + o o 0 4 o + o 0 2 o o + 1 2 - - o 1 4 - o - 1 5 o - - 1 3 - o o 1 6 o - o 1 7 o o - 2 3 o + o 4 7 + o o 5 6 o o + 
OsAu3 crystallizes in the trigonal R3 space group. There are two inequivalent Os sites. In the first Os site, Os(1) is bonded in a 6-coordinate geometry to three equivalent Au(1) and three equivalent Au(2) atoms. All Os(1)-Au(1) bond lengths are 2.59 Å. All Os(1)-Au(2) bond lengths are 2.59 Å. In the second Os site, Os(2) is bonded in a 3-coordinate geometry to three equivalent Au(1) and three equivalent Au(2) atoms. All Os(2)-Au(1) bond lengths are 2.10 Å. All Os(2)-Au(2) bond lengths are 2.59 Å. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a 1-coordinate geometry to one Os(1), one Os(2), and one Au(2) atom. The Au(1)-Au(2) bond length is 2.05 Å. In the second Au site, Au(2) is bonded in a 3-coordinate geometry to one Os(1), one Os(2), and one Au(1) atom.