data_AlSiSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.59
_cell_length_b   4.59
_cell_length_c   4.59
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlSiSb
_chemical_formula_sum   'Al1 Si1 Sb1'
_cell_volume   68.59
_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  0.0  0.0  0.0  1.0
  Si  Si2  1  0.62  0.62  0.62  1.0
  Sb  Sb1  1  0.25  0.25  0.25  1.0

data_AlSiSb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.59
_cell_length_b   4.59
_cell_length_c   11.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   AlSiSb
_chemical_formula_sum   'Al3 Si3 Sb3'
_cell_volume   205.78
_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
  Si  Si1  3  0.0  0.0  0.38  1.0
  Sb  Sb2  3  0.0  0.0  0.75  1.0

Al Si Sb
AlSiSb is alpha boron-derived structured and crystallizes in the trigonal R3m space group. Al(1) is bonded to three equivalent Si(1) and four equivalent Sb(1) atoms to form distorted AlSi3Sb4 hexagonal pyramids that share corners with three equivalent Sb(1)Al4Si3 hexagonal pyramids, corners with six equivalent Al(1)Si3Sb4 hexagonal pyramids, edges with three equivalent Sb(1)Al4Si3 hexagonal pyramids, and edges with six equivalent Al(1)Si3Sb4 hexagonal pyramids. All Al(1)-Si(1) bond lengths are 2.69 Å. There is one shorter (2.80 Å) and three longer (2.82 Å) Al(1)-Sb(1) bond lengths. Si(1) is bonded in a hexagonal planar geometry to three equivalent Al(1) and three equivalent Sb(1) atoms. All Si(1)-Sb(1) bond lengths are 2.69 Å. Sb(1) is bonded to four equivalent Al(1) and three equivalent Si(1) atoms to form distorted SbAl4Si3 hexagonal pyramids that share corners with three equivalent Al(1)Si3Sb4 hexagonal pyramids, corners with six equivalent Sb(1)Al4Si3 hexagonal pyramids, edges with three equivalent Al(1)Si3Sb4 hexagonal pyramids, and edges with six equivalent Sb(1)Al4Si3 hexagonal pyramids.