data_VOs4Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   5.14
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VOs4Au
_chemical_formula_sum   'V1 Os4 Au1'
_cell_volume   95.98
_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
  V  V5  1  0.0  0.0  0.0  1.0
  Os  Os1  1  0.73  0.73  0.54  1.0
  Os  Os2  1  0.73  0.54  0.73  1.0
  Os  Os3  1  0.54  0.73  0.73  1.0
  Os  Os4  1  0.54  0.54  0.54  1.0
  Au  Au0  1  0.82  0.82  0.82  1.0

data_VOs4Au
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   12.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   VOs4Au
_chemical_formula_sum   'V3 Os12 Au3'
_cell_volume   287.93
_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
  V  V0  3  0.0  0.0  0.0  1.0
  Os  Os1  9  0.12  0.06  0.34  1.0
  Os  Os2  3  0.0  0.0  0.46  1.0
  Au  Au3  3  0.0  0.0  0.18  1.0

V Os Os Os Os Au
V Os Os Os Os Au 0 5 - - - 0 1 - - o 0 2 - o - 0 3 o - - 1 2 o o o 1 3 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 
VOs4Au crystallizes in the trigonal R3m space group. V(1) is bonded in a trigonal pyramidal geometry to three equivalent Os(1) and one Au(1) atom. All V(1)-Os(1) bond lengths are 2.42 Å. The V(1)-Au(1) bond length is 2.30 Å. There are two inequivalent Os sites. In the first Os site, Os(1) is bonded in a 5-coordinate geometry to one V(1), one Os(2), two equivalent Os(1), and one Au(1) atom. The Os(1)-Os(2) bond length is 1.63 Å. Both Os(1)-Os(1) bond lengths are 0.94 Å. The Os(1)-Au(1) bond length is 1.99 Å. In the second Os site, Os(2) is bonded in a 6-coordinate geometry to three equivalent Os(1) and three equivalent Au(1) atoms. All Os(2)-Au(1) bond lengths are 3.06 Å. Au(1) is bonded in a 7-coordinate geometry to one V(1), three equivalent Os(1), and three equivalent Os(2) atoms.