data_Al2ZnSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.82
_cell_length_b   3.56
_cell_length_c   7.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2ZnSe
_chemical_formula_sum   'Al2 Zn1 Se1'
_cell_volume   73.96
_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  0.81  0.78  0.33  1.0
  Al  Al1  1  0.42  0.0  0.72  1.0
  Zn  Zn3  1  0.37  0.0  0.75  1.0
  Se  Se2  1  0.43  0.78  0.61  1.0

data_Al2ZnSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   3.56
_cell_length_c   7.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2ZnSe
_chemical_formula_sum   'Al2 Zn1 Se1'
_cell_volume   73.96
_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  0.42  0.0  0.72  1.0
  Al  Al1  1  0.81  0.78  0.33  1.0
  Zn  Zn2  1  0.37  0.0  0.75  1.0
  Se  Se3  1  0.43  0.78  0.61  1.0

Al Al Zn Se