data_AlZnCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   3.63
_cell_length_c   5.36
_cell_angle_alpha   90.0
_cell_angle_beta   114.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlZnCl2
_chemical_formula_sum   'Al1 Zn1 Cl2'
_cell_volume   91.06
_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  0.39  0.0  0.65  1.0
  Zn  Zn3  1  0.62  0.82  0.0  1.0
  Cl  Cl1  1  0.68  0.82  0.39  1.0
  Cl  Cl2  1  0.83  0.0  0.28  1.0

data_AlZnCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.63
_cell_length_b   5.14
_cell_length_c   5.36
_cell_angle_alpha   114.36
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlZnCl2
_chemical_formula_sum   'Al1 Zn1 Cl2'
_cell_volume   91.06
_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  0.61  0.35  1.0
  Zn  Zn1  1  0.18  0.38  1.0  1.0
  Cl  Cl2  1  0.0  0.17  0.72  1.0
  Cl  Cl3  1  0.18  0.32  0.61  1.0

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