data_AlSn2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28
_cell_length_b   5.28
_cell_length_c   5.28
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlSn2Te
_chemical_formula_sum   'Al1 Sn2 Te1'
_cell_volume   103.98
_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
  Sn  Sn1  1  0.73  0.73  0.73  1.0
  Sn  Sn2  1  0.87  0.87  0.87  1.0
  Te  Te3  1  0.6  0.6  0.6  1.0

data_AlSn2Te
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.28
_cell_length_b   5.28
_cell_length_c   12.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   AlSn2Te
_chemical_formula_sum   'Al3 Sn6 Te3'
_cell_volume   311.93
_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
  Sn  Sn1  3  0.0  0.0  0.13  1.0
  Sn  Sn2  3  0.0  0.0  0.27  1.0
  Te  Te3  3  0.0  0.0  0.4  1.0

Al Sn Sn Te
AlSn2Te crystallizes in the trigonal R3m space group. Al(1) is bonded in a single-bond geometry to one Sn(2) and three equivalent Sn(1) atoms. The Al(1)-Sn(2) bond length is 1.73 Å. All Al(1)-Sn(1) bond lengths are 3.16 Å. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 5-coordinate geometry to three equivalent Al(1), one Sn(2), and one Te(1) atom. The Sn(1)-Sn(2) bond length is 1.73 Å. The Sn(1)-Te(1) bond length is 1.73 Å. In the second Sn site, Sn(2) is bonded in a 1-coordinate geometry to one Al(1) and one Sn(1) atom. Te(1) is bonded in a single-bond geometry to one Sn(1) atom.