data_CdBi2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.01
_cell_length_b   6.01
_cell_length_c   3.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdBi2Te
_chemical_formula_sum   'Cd1 Bi2 Te1'
_cell_volume   118.7
_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  Cd2  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.75  0.55  0.74  1.0
  Bi  Bi1  1  0.75  0.45  0.74  1.0
  Te  Te3  1  0.49  0.0  0.0  1.0

data_CdBi2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.47
_cell_length_b   6.01
_cell_length_c   6.01
_cell_angle_alpha   108.99
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdBi2Te
_chemical_formula_sum   'Cd1 Bi2 Te1'
_cell_volume   118.7
_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
  Bi  Bi1  1  0.74  0.75  0.45  1.0
  Bi  Bi2  1  0.74  0.75  0.55  1.0
  Te  Te3  1  0.0  0.49  0.0  1.0

Cd Bi Bi Te
Cd Bi Bi Te 0 2 - - - 0 1 - - - 0 3 - o o 0 3 o o o 0 0 o o + 1 2 o o o 1 3 o o + 2 3 o o + 3 3 o o + 