data_Cd2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.05
_cell_length_b   6.05
_cell_length_c   6.05
_cell_angle_alpha   109.54
_cell_angle_beta   109.54
_cell_angle_gamma   109.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2Te
_chemical_formula_sum   'Cd4 Te2'
_cell_volume   170.46
_cell_formula_units_Z   2
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  1.0  0.49  0.0  1.0
  Cd  Cd1  1  0.49  1.0  0.5  1.0
  Cd  Cd2  1  0.49  1.0  0.0  1.0
  Cd  Cd3  1  0.0  0.49  0.5  1.0
  Te  Te4  1  0.0  0.0  0.25  1.0
  Te  Te5  1  0.0  0.0  0.75  1.0

data_Cd2Te
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.05
_cell_length_b   9.87
_cell_length_c   3.02
_cell_angle_alpha   90.0
_cell_angle_beta   109.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cd2Te
_chemical_formula_sum   'Cd4 Te2'
_cell_volume   170.46
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z+2/521'
  3  '-x, y, -z+2/521'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, -z+2/521'
  7  '-x+1/2, y+1/2, -z+2/521'
  8  'x+1/2, -y+1/2, 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  4  0.25  0.25  0.49  1.0
  Te  Te1  2  0.0  0.0  0.5  1.0

Cd Cd Cd Cd Te Te
Cd2Te crystallizes in the triclinic P1 space group. There are four inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a distorted linear geometry to one Te(1) and one Te(2) atom. The Cd(1)-Te(1) bond length is 2.92 Å. The Cd(1)-Te(2) bond length is 2.86 Å. In the second Cd site, Cd(2) is bonded in a distorted linear geometry to one Te(1) and one Te(2) atom. The Cd(2)-Te(1) bond length is 2.86 Å. The Cd(2)-Te(2) bond length is 2.93 Å. In the third Cd site, Cd(3) is bonded in a distorted linear geometry to one Te(1) and one Te(2) atom. The Cd(3)-Te(1) bond length is 2.95 Å. The Cd(3)-Te(2) bond length is 2.84 Å. In the fourth Cd site, Cd(4) is bonded in a distorted linear geometry to one Te(1) and one Te(2) atom. The Cd(4)-Te(1) bond length is 2.85 Å. The Cd(4)-Te(2) bond length is 2.94 Å. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 6-coordinate geometry to one Cd(1), one Cd(2), one Cd(3), one Cd(4), and two equivalent Te(2) atoms. There is one shorter (3.02 Å) and one longer (3.03 Å) Te(1)-Te(2) bond length. In the second Te site, Te(2) is bonded in a 6-coordinate geometry to one Cd(1), one Cd(2), one Cd(3), one Cd(4), and two equivalent Te(1) atoms.