data_[Al4Zn2Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Zn  1.6500  1.3500  0.8800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.9931]
_cell_length_b [9.6933]
_cell_length_c [6.0116]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.3686]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Al2ZnCl8]
_chemical_formula_sum '[Al4 Zn2 Cl16]'
_cell_volume [697.6619]
_cell_formula_units_Z [2]
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  4  0.1934  0.0000  0.6472  1.0
  Zn  Zn1  2  0.0000  0.0000  0.0000  1.0
  Cl  Cl2  8  0.0971  0.1713  0.7831  1.0
  Cl  Cl3  4  0.1370  0.5000  0.2466  1.0
  Cl  Cl4  4  0.1778  0.0000  0.2862  1.0
]