data_Cd2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.42
_cell_length_b   5.42
_cell_length_c   6.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2Te
_chemical_formula_sum   'Cd4 Te2'
_cell_volume   160.08
_cell_formula_units_Z   2
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  0.0  0.0  0.17  1.0
  Cd  Cd2  1  0.68  0.45  0.76  1.0
  Cd  Cd3  1  0.68  0.55  0.59  1.0
  Te  Te4  1  0.68  0.43  0.59  1.0
  Te  Te5  1  0.68  0.57  0.76  1.0

data_Cd2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.36
_cell_length_b   5.42
_cell_length_c   6.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   119.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2Te
_chemical_formula_sum   'Cd4 Te2'
_cell_volume   160.08
_cell_formula_units_Z   2
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  0.0  0.0  0.17  1.0
  Cd  Cd2  1  0.45  0.13  0.59  1.0
  Cd  Cd3  1  0.55  0.23  0.76  1.0
  Te  Te4  1  0.43  0.11  0.76  1.0
  Te  Te5  1  0.57  0.25  0.59  1.0

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