data_Al2Zn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.69
_cell_length_b   4.06
_cell_length_c   8.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2Zn
_chemical_formula_sum   'Al8 Zn4'
_cell_volume   194.72
_cell_formula_units_Z   4
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  0.56  0.01  0.13  1.0
  Al  Al1  1  0.98  0.04  0.35  1.0
  Al  Al2  1  0.71  0.01  0.09  1.0
  Al  Al3  1  0.13  0.04  0.3  1.0
  Al  Al4  1  0.55  0.01  0.73  1.0
  Al  Al5  1  0.99  0.04  0.51  1.0
  Al  Al6  1  0.7  0.01  0.92  1.0
  Al  Al7  1  0.14  0.04  0.71  1.0
  Zn  Zn8  1  0.7  0.01  0.74  1.0
  Zn  Zn9  1  0.14  0.04  0.52  1.0
  Zn  Zn10  1  0.55  0.01  0.91  1.0
  Zn  Zn11  1  0.99  0.04  0.7  1.0

data_Al2Zn
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.06
_cell_length_b   5.69
_cell_length_c   8.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Al2Zn
_chemical_formula_sum   'Al8 Zn4'
_cell_volume   194.72
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.49  0.7  0.01  1.0
  Al  Al1  2  0.49  0.71  0.41  1.0
  Al  Al2  2  0.49  0.86  0.21  1.0
  Al  Al3  2  0.49  0.87  0.37  1.0
  Zn  Zn4  2  0.49  0.7  0.2  1.0
  Zn  Zn5  2  0.49  0.86  0.02  1.0

Al Al Al Al Al Al Al Al Zn Zn Zn Zn