data_Al2SbPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   5.18
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2SbPb
_chemical_formula_sum   'Al2 Sb1 Pb1'
_cell_volume   98.49
_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
  Al  Al0  1  0.5  0.5  0.5  1.0
  Al  Al1  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.67  0.67  0.67  1.0
  Pb  Pb2  1  0.83  0.83  0.83  1.0

data_Al2SbPb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   12.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Al2SbPb
_chemical_formula_sum   'Al6 Sb3 Pb3'
_cell_volume   295.46
_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
  Al  Al0  3  0.0  0.0  0.0  1.0
  Al  Al1  3  0.0  0.0  0.5  1.0
  Sb  Sb2  3  0.0  0.0  0.33  1.0
  Pb  Pb3  3  0.0  0.0  0.17  1.0

Al Al Sb Pb
Al Al Sb Pb 0 2 o o o 1 3 - - - 2 3 o o o 
Al2PbSb crystallizes in the trigonal R3m space group. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to three equivalent Pb(1) and one Sb(1) atom to form AlSbPb3 trigonal pyramids that share  a cornercorner with one Pb(1)Al4Sb trigonal bipyramid, corners with three equivalent Sb(1)Al4Pb trigonal bipyramids, corners with six equivalent Al(1)SbPb3 trigonal pyramids, and edges with three equivalent Al(2)Sb3Pb trigonal pyramids. All Al(1)-Pb(1) bond lengths are 2.99 Å. The Al(1)-Sb(1) bond length is 2.12 Å. In the second Al site, Al(2) is bonded to one Pb(1) and three equivalent Sb(1) atoms to form distorted AlSb3Pb trigonal pyramids that share  a cornercorner with one Sb(1)Al4Pb trigonal bipyramid, corners with three equivalent Pb(1)Al4Sb trigonal bipyramids, corners with six equivalent Al(2)Sb3Pb trigonal pyramids, and edges with three equivalent Al(1)SbPb3 trigonal pyramids. The Al(2)-Pb(1) bond length is 2.12 Å. All Al(2)-Sb(1) bond lengths are 2.99 Å. Pb(1) is bonded to one Al(2), three equivalent Al(1), and one Sb(1) atom to form PbAl4Sb trigonal bipyramids that share corners with six equivalent Pb(1)Al4Sb trigonal bipyramids,  a cornercorner with one Al(1)SbPb3 trigonal pyramid, corners with three equivalent Al(2)Sb3Pb trigonal pyramids, and edges with three equivalent Sb(1)Al4Pb trigonal bipyramids. The Pb(1)-Sb(1) bond length is 2.12 Å. Sb(1) is bonded to one Al(1), three equivalent Al(2), and one Pb(1) atom to form distorted SbAl4Pb trigonal bipyramids that share corners with six equivalent Sb(1)Al4Pb trigonal bipyramids,  a cornercorner with one Al(2)Sb3Pb trigonal pyramid, corners with three equivalent Al(1)SbPb3 trigonal pyramids, and edges with three equivalent Pb(1)Al4Sb trigonal bipyramids.