data_Al2ZnCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.69
_cell_length_b   4.69
_cell_length_c   2.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2ZnCr
_chemical_formula_sum   'Al2 Zn1 Cr1'
_cell_volume   56.17
_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  0.35  0.09  0.35  1.0
  Al  Al1  1  0.35  0.91  0.35  1.0
  Zn  Zn3  1  0.71  0.0  0.0  1.0
  Cr  Cr2  1  0.0  0.0  0.0  1.0

data_Al2ZnCr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.71
_cell_length_b   4.69
_cell_length_c   4.69
_cell_angle_alpha   109.43
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2ZnCr
_chemical_formula_sum   'Al2 Zn1 Cr1'
_cell_volume   56.17
_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  0.35  0.35  0.91  1.0
  Al  Al1  1  0.35  0.35  0.09  1.0
  Zn  Zn2  1  0.0  0.71  0.0  1.0
  Cr  Cr3  1  0.0  0.0  0.0  1.0

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