data_CoSbAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.45
_cell_length_b   4.45
_cell_length_c   4.45
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoSbAu
_chemical_formula_sum   'Co1 Sb1 Au1'
_cell_volume   62.11
_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  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.14  0.14  0.14  1.0
  Au  Au0  1  0.57  0.57  0.57  1.0

data_CoSbAu
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.45
_cell_length_b   4.45
_cell_length_c   10.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CoSbAu
_chemical_formula_sum   'Co3 Sb3 Au3'
_cell_volume   186.33
_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  3  0.0  0.0  0.0  1.0
  Sb  Sb1  3  0.0  0.0  0.86  1.0
  Au  Au2  3  0.0  0.0  0.43  1.0

Co Sb Au
Co Sb Au 0 1 o o o 0 2 o - - 0 2 - o - 0 2 - - o 1 2 o o - 1 2 o - o 1 2 - o o 
CoAuSb crystallizes in the trigonal R3m space group. Co(1) is bonded to three equivalent Au(1) and one Sb(1) atom to form distorted CoSbAu3 tetrahedra that share corners with three equivalent Sb(1)CoAu3 tetrahedra, corners with six equivalent Co(1)SbAu3 tetrahedra, and edges with three equivalent Sb(1)CoAu3 tetrahedra. All Co(1)-Au(1) bond lengths are 2.77 Å. The Co(1)-Sb(1) bond length is 1.56 Å. Au(1) is bonded in a 6-coordinate geometry to three equivalent Co(1) and three equivalent Sb(1) atoms. All Au(1)-Sb(1) bond lengths are 2.77 Å. Sb(1) is bonded to one Co(1) and three equivalent Au(1) atoms to form distorted SbCoAu3 tetrahedra that share corners with three equivalent Co(1)SbAu3 tetrahedra, corners with six equivalent Sb(1)CoAu3 tetrahedra, and edges with three equivalent Co(1)SbAu3 tetrahedra.