data_CdAgTeS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   5.0
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdAgTeS
_chemical_formula_sum   'Cd1 Ag1 Te1 S1'
_cell_volume   88.58
_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  Cd1  1  0.54  0.54  0.54  1.0
  Ag  Ag0  1  0.31  0.31  0.31  1.0
  Te  Te3  1  0.77  0.77  0.77  1.0
  S  S2  1  0.0  0.0  0.0  1.0

data_CdAgTeS
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   12.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CdAgTeS
_chemical_formula_sum   'Cd3 Ag3 Te3 S3'
_cell_volume   265.75
_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  0.46  1.0
  Ag  Ag1  3  0.0  0.0  0.69  1.0
  Te  Te2  3  0.0  0.0  0.23  1.0
  S  S3  3  0.0  0.0  0.0  1.0

Cd Ag Te S
Cd Ag Te S 0 1 o o o 0 1 o o + 0 1 + o o 0 1 o + o 0 2 o - o 0 2 - o o 0 2 o o - 0 2 o o o 0 3 o + + 0 3 + o + 0 3 + + o 1 3 o o + 1 3 o + o 1 3 + o o 1 2 - o o 1 2 o - o 1 2 o o - 2 3 + o + 2 3 o + + 2 3 + + o 2 3 + + + 
AgCdTeS crystallizes in the trigonal R3m space group. Ag(1) is bonded in a 10-coordinate geometry to four equivalent Cd(1), three equivalent Te(1), and three equivalent S(1) atoms. There is one shorter (2.83 Å) and three longer (3.15 Å) Ag(1)-Cd(1) bond lengths. All Ag(1)-Te(1) bond lengths are 3.29 Å. All Ag(1)-S(1) bond lengths are 2.91 Å. Cd(1) is bonded in a distorted body-centered cubic geometry to four equivalent Ag(1) and four equivalent Te(1) atoms. There is one shorter (2.83 Å) and three longer (3.15 Å) Cd(1)-Te(1) bond lengths. Te(1) is bonded in a 11-coordinate geometry to three equivalent Ag(1), four equivalent Cd(1), and four equivalent S(1) atoms. There is one shorter (2.83 Å) and three longer (3.15 Å) Te(1)-S(1) bond lengths. S(1) is bonded to three equivalent Ag(1) and four equivalent Te(1) atoms to form a mixture of distorted corner and edge-sharing SAg3Te4 trigonal pyramids.