data_Cd2SbTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   4.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2SbTe
_chemical_formula_sum   'Cd2 Sb1 Te1'
_cell_volume   106.38
_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  0.57  0.0  0.01  1.0
  Cd  Cd1  1  0.0  0.57  0.01  1.0
  Sb  Sb2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.57  0.57  0.0  1.0

data_Cd2SbTe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.27
_cell_length_b   7.27
_cell_length_c   4.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cd2SbTe
_chemical_formula_sum   'Cd4 Sb2 Te2'
_cell_volume   212.76
_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  4  0.28  0.28  0.01  1.0
  Sb  Sb1  2  0.0  0.0  0.0  1.0
  Te  Te2  2  0.07  0.5  0.0  1.0

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