data_AlSn2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   5.22
_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   100.59
_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
  Sn  Sn1  1  0.54  0.54  0.54  1.0
  Sn  Sn2  1  0.85  0.85  0.85  1.0
  Te  Te3  1  0.69  0.69  0.69  1.0

data_AlSn2Te
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   12.79
_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   301.78
_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
  Sn  Sn1  3  0.0  0.0  0.15  1.0
  Sn  Sn2  3  0.0  0.0  0.46  1.0
  Te  Te3  3  0.0  0.0  0.31  1.0

Al Sn Sn Te
Al Sn Sn Te 0 2 - - - 1 3 o o o 2 3 o o o 
AlSn2Te crystallizes in the trigonal R3m space group. Al(1) is bonded to one Sn(2) and three equivalent Te(1) atoms to form distorted AlSnTe3 trigonal pyramids that share  a cornercorner with one Te(1)Al3Sn2 trigonal bipyramid and corners with six equivalent Al(1)SnTe3 trigonal pyramids. The Al(1)-Sn(2) bond length is 1.97 Å. All Al(1)-Te(1) bond lengths are 3.03 Å. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a single-bond geometry to one Te(1) atom. The Sn(1)-Te(1) bond length is 1.97 Å. In the second Sn site, Sn(2) is bonded in a linear geometry to one Al(1) and one Te(1) atom. The Sn(2)-Te(1) bond length is 1.97 Å. Te(1) is bonded to three equivalent Al(1), one Sn(1), and one Sn(2) atom to form distorted TeAl3Sn2 trigonal bipyramids that share corners with six equivalent Te(1)Al3Sn2 trigonal bipyramids and  a cornercorner with one Al(1)SnTe3 trigonal pyramid.