data_CdTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.37
_cell_length_b   6.37
_cell_length_c   6.37
_cell_angle_alpha   38.45
_cell_angle_beta   38.45
_cell_angle_gamma   38.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdTe2
_chemical_formula_sum   'Cd1 Te2'
_cell_volume   89.78
_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  0.0  1.0
  Te  Te1  1  0.0  0.0  0.53  1.0
  Te  Te2  1  0.0  0.0  0.15  1.0

data_CdTe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.27
_cell_length_b   4.19
_cell_length_c   6.37
_cell_angle_alpha   90.0
_cell_angle_beta   112.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CdTe2
_chemical_formula_sum   'Cd2 Te4'
_cell_volume   179.56
_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  0.0  1.0
  Te  Te1  2  0.0  0.0  0.47  1.0
  Te  Te2  2  0.0  0.0  0.85  1.0

Cd Te Te
Cd Te Te 0 2 o o o 1 2 o o o 