data_Co4SbAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   4.91
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co4SbAu
_chemical_formula_sum   'Co4 Sb1 Au1'
_cell_volume   83.94
_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
  Co  Co1  1  0.61  0.61  0.34  1.0
  Co  Co2  1  0.61  0.34  0.61  1.0
  Co  Co3  1  0.34  0.61  0.61  1.0
  Co  Co4  1  0.34  0.34  0.34  1.0
  Sb  Sb5  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.74  0.74  0.74  1.0

data_Co4SbAu
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   12.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Co4SbAu
_chemical_formula_sum   'Co12 Sb3 Au3'
_cell_volume   251.81
_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
  Co  Co0  9  0.18  0.09  0.48  1.0
  Co  Co1  3  0.0  0.0  0.66  1.0
  Sb  Sb2  3  0.0  0.0  0.0  1.0
  Au  Au3  3  0.0  0.0  0.26  1.0

Co Co Co Co Sb Au
Co Co Co Co Sb Au 0 1 o o o 0 2 o o o 0 3 o o o 0 4 + + o 0 4 + o o 0 4 o + o 0 5 o o o 0 5 o o - 1 2 o o o 1 3 o o o 1 4 + o + 1 4 + o o 1 4 o o + 1 5 o o o 1 5 o - o 2 3 o o o 2 4 o + + 2 4 o + o 2 4 o o + 2 5 o o o 2 5 - o o 3 4 + o o 3 4 o + o 3 4 o o + 3 5 o o - 3 5 o - o 3 5 - o o 4 5 - - - 4 5 - - o 4 5 - o - 4 5 o - - 
Co4AuSb crystallizes in the trigonal R3m space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 3-coordinate geometry to one Co(2), two equivalent Co(1), one Au(1), and one Sb(1) atom. The Co(1)-Co(2) bond length is 2.28 Å. Both Co(1)-Co(1) bond lengths are 1.32 Å. The Co(1)-Au(1) bond length is 2.50 Å. The Co(1)-Sb(1) bond length is 2.73 Å. In the second Co site, Co(2) is bonded in a 9-coordinate geometry to three equivalent Co(1), three equivalent Au(1), and three equivalent Sb(1) atoms. All Co(2)-Au(1) bond lengths are 2.94 Å. All Co(2)-Sb(1) bond lengths are 2.84 Å. Au(1) is bonded in a 3-coordinate geometry to three equivalent Co(1), three equivalent Co(2), and three equivalent Sb(1) atoms. All Au(1)-Sb(1) bond lengths are 2.96 Å. Sb(1) is bonded in a 9-coordinate geometry to three equivalent Co(1), three equivalent Co(2), and three equivalent Au(1) atoms.