data_Al4SbAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.48
_cell_length_b   5.48
_cell_length_c   5.48
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al4SbAs
_chemical_formula_sum   'Al4 Sb1 As1'
_cell_volume   116.18
_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  0.9  0.9  0.84  1.0
  Al  Al1  1  0.9  0.84  0.9  1.0
  Al  Al2  1  0.84  0.9  0.9  1.0
  Al  Al3  1  0.84  0.84  0.84  1.0
  Sb  Sb5  1  0.94  0.94  0.94  1.0
  As  As4  1  0.0  0.0  0.0  1.0

data_Al4SbAs
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.48
_cell_length_b   5.48
_cell_length_c   13.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Al4SbAs
_chemical_formula_sum   'Al12 Sb3 As3'
_cell_volume   348.53
_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  9  0.04  0.02  0.12  1.0
  Al  Al1  3  0.0  0.0  0.16  1.0
  Sb  Sb2  3  0.0  0.0  0.06  1.0
  As  As3  3  0.0  0.0  0.0  1.0

Al Al Al Al Sb As
Al4SbAs is Copper structured and crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of three Al4SbAs clusters. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 2-coordinate geometry to one Al(2), two equivalent Al(1), and one Sb(1) atom. The Al(1)-Al(2) bond length is 0.57 Å. Both Al(1)-Al(1) bond lengths are 0.33 Å. The Al(1)-Sb(1) bond length is 0.74 Å. In the second Al site, Al(2) is bonded in a 3-coordinate geometry to three equivalent Al(1) atoms. Sb(1) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Al(1) and one As(1) atom. The Sb(1)-As(1) bond length is 0.85 Å. As(1) is bonded in a single-bond geometry to one Sb(1) atom.