data_Al2ZnSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.51
_cell_length_b   9.51
_cell_length_c   9.51
_cell_angle_alpha   18.95
_cell_angle_beta   18.95
_cell_angle_gamma   18.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2ZnSn
_chemical_formula_sum   'Al2 Zn1 Sn1'
_cell_volume   79.31
_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  0.0  0.27  1.0
  Al  Al1  1  0.0  0.0  0.75  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.0  0.0  0.01  1.0

data_Al2ZnSn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.42
_cell_length_b   3.13
_cell_length_c   9.51
_cell_angle_alpha   90.0
_cell_angle_beta   100.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Al2ZnSn
_chemical_formula_sum   'Al4 Zn2 Sn2'
_cell_volume   158.61
_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  0.25  1.0
  Al  Al1  2  0.0  0.0  0.73  1.0
  Zn  Zn2  2  0.0  0.0  0.0  1.0
  Sn  Sn3  2  0.0  0.0  0.99  1.0

Al Al Zn Sn
Al Al Zn Sn 0 0 o + - 0 0 + - o 0 0 + o - 0 3 o o o 0 2 o o o 1 3 o o + 1 2 o o + 2 3 o o o 