data_CdSiTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   5.21
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdSiTe2
_chemical_formula_sum   'Cd1 Si1 Te2'
_cell_volume   100.12
_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  0.53  0.53  0.53  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.84  0.84  0.84  1.0
  Te  Te3  1  0.69  0.69  0.69  1.0

data_CdSiTe2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   12.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CdSiTe2
_chemical_formula_sum   'Cd3 Si3 Te6'
_cell_volume   300.36
_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  0.47  1.0
  Si  Si1  3  0.0  0.0  -0.0  1.0
  Te  Te2  3  0.0  0.0  0.16  1.0
  Te  Te3  3  0.0  0.0  0.31  1.0

Cd Si Te Te
CdSiTe2 crystallizes in the trigonal R3m space group. Cd(1) is bonded to one Te(2) and three equivalent Te(1) atoms to form distorted CdTe4 trigonal pyramids that share  a cornercorner with one Te(1)Cd3SiTe trigonal bipyramid, corners with three equivalent Te(2)CdSi3Te trigonal bipyramids, corners with six equivalent Cd(1)Te4 trigonal pyramids, and edges with three equivalent Si(1)Te4 trigonal pyramids. The Cd(1)-Te(2) bond length is 2.01 Å. All Cd(1)-Te(1) bond lengths are 3.02 Å. Si(1) is bonded to one Te(1) and three equivalent Te(2) atoms to form distorted SiTe4 trigonal pyramids that share  a cornercorner with one Te(2)CdSi3Te trigonal bipyramid, corners with three equivalent Te(1)Cd3SiTe trigonal bipyramids, corners with six equivalent Si(1)Te4 trigonal pyramids, and edges with three equivalent Cd(1)Te4 trigonal pyramids. The Si(1)-Te(1) bond length is 2.01 Å. All Si(1)-Te(2) bond lengths are 3.02 Å. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to three equivalent Cd(1), one Si(1), and one Te(2) atom to form distorted TeCd3SiTe trigonal bipyramids that share corners with six equivalent Te(1)Cd3SiTe trigonal bipyramids,  a cornercorner with one Cd(1)Te4 trigonal pyramid, corners with three equivalent Si(1)Te4 trigonal pyramids, and edges with three equivalent Te(2)CdSi3Te trigonal bipyramids. The Te(1)-Te(2) bond length is 2.01 Å. In the second Te site, Te(2) is bonded to one Cd(1), three equivalent Si(1), and one Te(1) atom to form distorted TeCdSi3Te trigonal bipyramids that share corners with six equivalent Te(2)CdSi3Te trigonal bipyramids,  a cornercorner with one Si(1)Te4 trigonal pyramid, corners with three equivalent Cd(1)Te4 trigonal pyramids, and edges with three equivalent Te(1)Cd3SiTe trigonal bipyramids.