data_SnSbTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.42
_cell_length_b   5.42
_cell_length_c   5.42
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnSbTe2
_chemical_formula_sum   'Sn1 Sb1 Te2'
_cell_volume   112.56
_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
  Sn  Sn1  1  0.0  0.0  0.0  1.0
  Sb  Sb0  1  0.92  0.92  0.92  1.0
  Te  Te2  1  0.75  0.75  0.75  1.0
  Te  Te3  1  0.83  0.83  0.83  1.0

data_SnSbTe2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.42
_cell_length_b   5.42
_cell_length_c   13.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SnSbTe2
_chemical_formula_sum   'Sn3 Sb3 Te6'
_cell_volume   337.69
_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
  Sn  Sn0  3  0.0  0.0  0.0  1.0
  Sb  Sb1  3  0.0  0.0  0.08  1.0
  Te  Te2  3  0.0  0.0  0.17  1.0
  Te  Te3  3  0.0  0.0  0.25  1.0

Sn Sb Te Te
SnSbTe2 crystallizes in the trigonal R3m space group. Sn(1) is bonded in a single-bond geometry to one Sb(1) and three equivalent Te(1) atoms. The Sn(1)-Sb(1) bond length is 1.11 Å. All Sn(1)-Te(1) bond lengths are 3.31 Å. Sb(1) is bonded in a linear geometry to one Sn(1) and one Te(2) atom. The Sb(1)-Te(2) bond length is 1.11 Å. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to three equivalent Sn(1) and one Te(2) atom to form distorted corner-sharing TeSn3Te tetrahedra. The Te(1)-Te(2) bond length is 1.11 Å. In the second Te site, Te(2) is bonded in a linear geometry to one Sb(1) and one Te(1) atom.