data_AlSb2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25
_cell_length_b   5.25
_cell_length_c   5.25
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlSb2Te
_chemical_formula_sum   'Al1 Sb2 Te1'
_cell_volume   102.45
_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
  Sb  Sb1  1  0.71  0.71  0.71  1.0
  Sb  Sb2  1  0.57  0.57  0.57  1.0
  Te  Te3  1  0.86  0.86  0.86  1.0

data_AlSb2Te
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.25
_cell_length_b   5.25
_cell_length_c   12.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   AlSb2Te
_chemical_formula_sum   'Al3 Sb6 Te3'
_cell_volume   307.34
_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
  Sb  Sb1  3  0.0  0.0  0.29  1.0
  Sb  Sb2  3  0.0  0.0  0.43  1.0
  Te  Te3  3  0.0  0.0  0.14  1.0

Al Sb Sb Te
Al Sb Sb Te 0 3 - - - 1 2 o o o 1 3 o o o 
AlSb2Te crystallizes in the trigonal R3m space group. Al(1) is bonded in a single-bond geometry to three equivalent Sb(1) and one Te(1) atom. All Al(1)-Sb(1) bond lengths are 3.09 Å. The Al(1)-Te(1) bond length is 1.84 Å. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to three equivalent Al(1), one Sb(2), and one Te(1) atom to form distorted corner-sharing SbAl3SbTe trigonal bipyramids. The Sb(1)-Sb(2) bond length is 1.84 Å. The Sb(1)-Te(1) bond length is 1.84 Å. In the second Sb site, Sb(2) is bonded in a distorted single-bond geometry to one Sb(1) atom. Te(1) is bonded in a distorted linear geometry to one Al(1) and one Sb(1) atom.