data_Al2CdSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.74
_cell_length_b   7.74
_cell_length_c   7.74
_cell_angle_alpha   26.76
_cell_angle_beta   26.76
_cell_angle_gamma   26.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2CdSe
_chemical_formula_sum   'Al2 Cd1 Se1'
_cell_volume   82.96
_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  0.0  0.65  1.0
  Al  Al1  1  0.0  0.0  0.73  1.0
  Cd  Cd2  1  0.0  0.0  0.19  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

data_Al2CdSe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.21
_cell_length_b   3.58
_cell_length_c   7.74
_cell_angle_alpha   90.0
_cell_angle_beta   105.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Al2CdSe
_chemical_formula_sum   'Al4 Cd2 Se2'
_cell_volume   165.92
_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
  Al  Al0  2  0.0  0.0  0.27  1.0
  Al  Al1  2  0.0  0.0  0.35  1.0
  Cd  Cd2  2  0.0  0.0  0.81  1.0
  Se  Se3  2  0.0  0.0  0.0  1.0

Al Al Cd Se