data_CdTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.48
_cell_length_b   7.48
_cell_length_c   4.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdTe
_chemical_formula_sum   'Cd3 Te3'
_cell_volume   194.84
_cell_formula_units_Z   3
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
  Cd  Cd1  1  0.74  0.16  0.01  1.0
  Cd  Cd2  1  0.0  0.32  0.01  1.0
  Te  Te3  1  0.6  0.43  0.0  1.0
  Te  Te4  1  0.34  0.05  0.0  1.0
  Te  Te5  1  0.81  0.0  0.0  1.0

data_CdTe
_symmetry_space_group_name_H-M   Pm
_cell_length_a   7.48
_cell_length_b   4.02
_cell_length_c   7.48
_cell_angle_alpha   90.0
_cell_angle_beta   120.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   CdTe
_chemical_formula_sum   'Cd3 Te3'
_cell_volume   194.84
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Cd  Cd1  1  0.0  0.0  0.32  1.0
  Cd  Cd2  1  0.74  0.0  0.16  1.0
  Te  Te3  1  0.34  0.0  0.05  1.0
  Te  Te4  1  0.6  0.0  0.43  1.0
  Te  Te5  1  0.81  0.0  0.0  1.0

Cd Cd Cd Te Te Te
Cd Cd Cd Te Te Te 0 5 - o o 0 4 o o o 1 5 o o o 1 2 + o o 1 3 o o o 1 4 o o o 3 4 o o o 