data_SbAsPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   5.1
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbAsPb
_chemical_formula_sum   'Sb1 As1 Pb1'
_cell_volume   93.83
_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
  Sb  Sb2  1  0.61  0.61  0.61  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.8  0.8  0.8  1.0

data_SbAsPb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   12.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SbAsPb
_chemical_formula_sum   'Sb3 As3 Pb3'
_cell_volume   281.5
_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
  Sb  Sb0  3  0.0  0.0  0.39  1.0
  As  As1  3  0.0  0.0  0.0  1.0
  Pb  Pb2  3  0.0  0.0  0.2  1.0

Sb As Pb
PbSbAs is half-Heusler structured and crystallizes in the trigonal R3m space group. Pb(1) is bonded in a distorted linear geometry to four equivalent Sb(1) and one As(1) atom. There is one shorter (2.46 Å) and three longer (3.40 Å) Pb(1)-Sb(1) bond lengths. The Pb(1)-As(1) bond length is 2.46 Å. Sb(1) is bonded in a distorted single-bond geometry to four equivalent Pb(1) and three equivalent As(1) atoms. All Sb(1)-As(1) bond lengths are 3.04 Å. As(1) is bonded in a 4-coordinate geometry to one Pb(1) and three equivalent Sb(1) atoms.