data_CdSnTeS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   5.16
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdSnTeS
_chemical_formula_sum   'Cd1 Sn1 Te1 S1'
_cell_volume   97.42
_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
  Cd  Cd0  1  0.65  0.65  0.65  1.0
  Sn  Sn2  1  0.83  0.83  0.83  1.0
  Te  Te3  1  0.48  0.48  0.48  1.0
  S  S1  1  0.0  0.0  0.0  1.0

data_CdSnTeS
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   12.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CdSnTeS
_chemical_formula_sum   'Cd3 Sn3 Te3 S3'
_cell_volume   292.27
_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
  Cd  Cd0  3  0.0  0.0  0.35  1.0
  Sn  Sn1  3  0.0  0.0  0.17  1.0
  Te  Te2  3  0.0  0.0  0.52  1.0
  S  S3  3  0.0  0.0  -0.0  1.0

Cd Sn Te S
CdSnTeS crystallizes in the trigonal R3m space group. Cd(1) is bonded to one Sn(1), one Te(1), and three equivalent S(1) atoms to form CdSnTeS3 trigonal bipyramids that share corners with six equivalent Cd(1)SnTeS3 trigonal bipyramids and  a cornercorner with one S(1)Cd3Sn trigonal pyramid. The Cd(1)-Sn(1) bond length is 2.20 Å. The Cd(1)-Te(1) bond length is 2.20 Å. All Cd(1)-S(1) bond lengths are 2.99 Å. Sn(1) is bonded in a distorted linear geometry to one Cd(1) and one S(1) atom. The Sn(1)-S(1) bond length is 2.20 Å. Te(1) is bonded in a distorted single-bond geometry to one Cd(1) atom. S(1) is bonded to three equivalent Cd(1) and one Sn(1) atom to form SCd3Sn trigonal pyramids that share  a cornercorner with one Cd(1)SnTeS3 trigonal bipyramid and corners with six equivalent S(1)Cd3Sn trigonal pyramids.