data_Al2CdTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.23
_cell_length_b   6.23
_cell_length_c   5.23
_cell_angle_alpha   114.57
_cell_angle_beta   114.57
_cell_angle_gamma   29.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2CdTe
_chemical_formula_sum   'Al2 Cd1 Te1'
_cell_volume   91.31
_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
  Al  Al0  1  0.07  0.0  0.15  1.0
  Al  Al1  1  0.24  0.0  0.97  1.0
  Cd  Cd2  1  0.73  0.0  0.33  1.0
  Te  Te3  1  0.62  0.0  0.63  1.0

data_Al2CdTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   5.23
_cell_length_c   6.23
_cell_angle_alpha   114.57
_cell_angle_beta   104.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2CdTe
_chemical_formula_sum   'Al2 Cd1 Te1'
_cell_volume   91.31
_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
  Al  Al0  1  0.0  0.15  0.07  1.0
  Al  Al1  1  0.0  0.97  0.24  1.0
  Cd  Cd2  1  0.0  0.33  0.73  1.0
  Te  Te3  1  0.0  0.63  0.62  1.0

Al Al Cd Te
Al Al Cd Te 0 1 o o - 2 3 o o o 