data_CdSiSnTe
_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   CdSiSnTe
_chemical_formula_sum   'Cd1 Si1 Sn1 Te1'
_cell_volume   97.14
_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
  Si  Si1  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.47  0.47  0.47  1.0
  Te  Te3  1  0.82  0.82  0.82  1.0

data_CdSiSnTe
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   12.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CdSiSnTe
_chemical_formula_sum   'Cd3 Si3 Sn3 Te3'
_cell_volume   291.43
_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
  Si  Si1  3  0.0  0.0  0.0  1.0
  Sn  Sn2  3  0.0  0.0  0.53  1.0
  Te  Te3  3  0.0  0.0  0.18  1.0

Cd Si Sn Te
Cd Si Sn Te 0 2 o o o 0 3 o o o 1 3 - - - 
CdSnSiTe crystallizes in the trigonal R3m space group. Cd(1) is bonded in a distorted linear geometry to one Sn(1), three equivalent Si(1), and one Te(1) atom. The Cd(1)-Sn(1) bond length is 2.22 Å. All Cd(1)-Si(1) bond lengths are 2.99 Å. The Cd(1)-Te(1) bond length is 2.22 Å. Sn(1) is bonded in a distorted single-bond geometry to one Cd(1) and three equivalent Te(1) atoms. All Sn(1)-Te(1) bond lengths are 2.99 Å. Si(1) is bonded to three equivalent Cd(1) and one Te(1) atom to form distorted corner-sharing SiCd3Te trigonal pyramids. The Si(1)-Te(1) bond length is 2.22 Å. Te(1) is bonded in a distorted linear geometry to one Cd(1), three equivalent Sn(1), and one Si(1) atom.