data_CdTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.27
_cell_length_b   6.27
_cell_length_c   26.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdTe2
_chemical_formula_sum   'Cd8 Te16'
_cell_volume   889.48
_cell_formula_units_Z   8
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  0.04  1.0
  Cd  Cd1  1  0.0  0.0  0.06  1.0
  Cd  Cd2  1  0.0  0.0  0.99  1.0
  Cd  Cd3  1  0.0  0.0  0.11  1.0
  Cd  Cd4  1  0.14  0.81  0.34  1.0
  Cd  Cd5  1  0.0  0.62  0.76  1.0
  Cd  Cd6  1  0.0  0.62  0.4  1.0
  Cd  Cd7  1  0.14  0.81  0.71  1.0
  Te  Te8  1  0.14  0.81  0.49  1.0
  Te  Te9  1  0.0  0.62  0.61  1.0
  Te  Te10  1  0.0  0.62  0.44  1.0
  Te  Te11  1  0.14  0.81  0.67  1.0
  Te  Te12  1  0.14  0.0  0.05  1.0
  Te  Te13  1  0.43  0.72  0.05  1.0
  Te  Te14  1  0.57  0.72  0.05  1.0
  Te  Te15  1  0.14  0.0  0.0  1.0
  Te  Te16  1  0.43  0.72  0.0  1.0
  Te  Te17  1  0.57  0.72  0.0  1.0
  Te  Te18  1  0.14  0.58  0.58  1.0
  Te  Te19  1  0.6  0.93  0.58  1.0
  Te  Te20  1  0.67  0.93  0.58  1.0
  Te  Te21  1  0.0  0.85  0.53  1.0
  Te  Te22  1  0.53  0.51  0.53  1.0
  Te  Te23  1  0.47  0.51  0.53  1.0

data_CdTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.27
_cell_length_b   6.27
_cell_length_c   26.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdTe2
_chemical_formula_sum   'Cd8 Te16'
_cell_volume   889.48
_cell_formula_units_Z   8
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  0.62  0.4  1.0
  Cd  Cd1  1  -0.0  0.62  0.76  1.0
  Cd  Cd2  1  0.0  0.0  0.04  1.0
  Cd  Cd3  1  0.0  0.0  0.06  1.0
  Cd  Cd4  1  0.0  0.0  0.11  1.0
  Cd  Cd5  1  0.0  0.0  0.99  1.0
  Cd  Cd6  1  0.14  0.81  0.34  1.0
  Cd  Cd7  1  0.14  0.81  0.71  1.0
  Te  Te8  1  -0.0  0.85  0.53  1.0
  Te  Te9  1  -0.0  0.62  0.44  1.0
  Te  Te10  1  -0.0  0.62  0.61  1.0
  Te  Te11  1  0.14  0.81  0.49  1.0
  Te  Te12  1  0.14  0.81  0.67  1.0
  Te  Te13  1  0.14  0.0  0.0  1.0
  Te  Te14  1  0.14  0.0  0.05  1.0
  Te  Te15  1  0.14  0.58  0.58  1.0
  Te  Te16  1  0.43  0.72  0.0  1.0
  Te  Te17  1  0.43  0.72  0.05  1.0
  Te  Te18  1  0.47  0.51  0.53  1.0
  Te  Te19  1  0.53  0.51  0.53  1.0
  Te  Te20  1  0.57  0.72  0.0  1.0
  Te  Te21  1  0.57  0.72  0.05  1.0
  Te  Te22  1  0.6  0.93  0.58  1.0
  Te  Te23  1  0.67  0.93  0.58  1.0

Cd Cd Cd Cd Cd Cd Cd Cd Te Te Te Te Te Te Te Te Te Te Te Te Te Te Te Te
Cd Cd Cd Cd Cd Cd Cd Cd Te Te Te Te Te Te Te Te Te Te Te Te Te Te Te Te 0 1 o o o 0 12 o o o 1 3 o o o 1 12 o o o 2 15 o o + 4 6 o o o 5 7 o o o 6 10 o o o 7 11 o o o 8 21 o o o 9 18 o o o 13 14 o o o 16 17 o o o 19 20 o o o 22 23 o o o 