data_Cd3Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.41
_cell_length_b   8.72
_cell_length_c   7.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd3Te
_chemical_formula_sum   'Cd12 Te4'
_cell_volume   426.52
_cell_formula_units_Z   4
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  0.68  0.54  0.2  1.0
  Cd  Cd1  1  0.52  0.18  0.39  1.0
  Cd  Cd2  1  0.89  0.54  0.24  1.0
  Cd  Cd3  1  0.73  0.18  0.43  1.0
  Cd  Cd4  1  0.36  0.62  0.87  1.0
  Cd  Cd5  1  0.26  0.1  0.68  1.0
  Cd  Cd6  1  0.16  0.46  0.95  1.0
  Cd  Cd7  1  0.05  0.26  0.76  1.0
  Cd  Cd8  1  0.05  0.1  0.76  1.0
  Cd  Cd9  1  0.16  0.62  0.95  1.0
  Cd  Cd10  1  0.26  0.26  0.68  1.0
  Cd  Cd11  1  0.36  0.46  0.87  1.0
  Te  Te12  1  0.06  0.54  0.07  1.0
  Te  Te13  1  0.15  0.18  0.89  1.0
  Te  Te14  1  0.27  0.54  0.74  1.0
  Te  Te15  1  0.35  0.18  0.55  1.0

data_Cd3Te
_symmetry_space_group_name_H-M   P-1
_cell_length_a   6.41
_cell_length_b   7.63
_cell_length_c   8.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Cd3Te
_chemical_formula_sum   'Cd12 Te4'
_cell_volume   426.52
_cell_formula_units_Z   4
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  2  0.02  0.61  0.32  1.0
  Cd  Cd1  2  0.18  0.43  0.68  1.0
  Cd  Cd2  2  0.34  0.95  0.24  1.0
  Cd  Cd3  2  0.34  0.95  0.4  1.0
  Cd  Cd4  2  0.45  0.13  0.76  1.0
  Cd  Cd5  2  0.45  0.13  0.6  1.0
  Te  Te6  2  0.35  0.26  0.68  1.0
  Te  Te7  2  0.44  0.07  0.32  1.0

Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Te Te Te Te
Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Te Te Te Te 0 2 o o o 1 3 o o o 4 14 o o o 4 9 o o o 4 11 o o o 5 8 o o o 5 15 o o o 5 10 o o o 6 12 o o + 6 11 o o o 6 9 o o o 7 13 o o o 7 8 o o o 7 10 o o o 8 13 o o o 9 12 o o + 10 15 o o o 11 14 o o o 