data_Cd2CoTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.69
_cell_length_b   9.69
_cell_length_c   9.69
_cell_angle_alpha   19.53
_cell_angle_beta   19.53
_cell_angle_gamma   19.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2CoTe
_chemical_formula_sum   'Cd2 Co1 Te1'
_cell_volume   88.93
_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  0.0  0.0  0.62  1.0
  Cd  Cd1  1  0.0  0.0  0.89  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.0  0.0  0.25  1.0

data_Cd2CoTe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.69
_cell_length_b   3.29
_cell_length_c   9.69
_cell_angle_alpha   90.0
_cell_angle_beta   101.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cd2CoTe
_chemical_formula_sum   'Cd4 Co2 Te2'
_cell_volume   177.87
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  '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  2  0.0  0.0  0.11  1.0
  Cd  Cd1  2  0.0  0.0  0.38  1.0
  Co  Co2  2  0.0  0.0  0.0  1.0
  Te  Te3  2  0.0  0.0  0.75  1.0

Cd Cd Co Te
Cd Cd Co Te 0 0 o + - 0 0 + - o 0 0 + o - 0 3 o o o 0 1 o o o 1 2 o o + 2 3 o o o 
CoCd2Te crystallizes in the monoclinic Cm space group. Co(1) is bonded in a distorted single-bond geometry to one Cd(2) and one Te(1) atom. The Co(1)-Cd(2) bond length is 1.09 Å. The Co(1)-Te(1) bond length is 2.44 Å. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to one Cd(2), six equivalent Cd(1), and one Te(1) atom to form a mixture of distorted corner and edge-sharing CdCd7Te hexagonal bipyramids. The Cd(1)-Cd(2) bond length is 2.61 Å. All Cd(1)-Cd(1) bond lengths are 3.29 Å. The Cd(1)-Te(1) bond length is 3.54 Å. In the second Cd site, Cd(2) is bonded in a single-bond geometry to one Co(1) and one Cd(1) atom. Te(1) is bonded in a single-bond geometry to one Co(1) and one Cd(1) atom.