data_[Zn4Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.8773]
_cell_length_b [7.2172]
_cell_length_c [18.2098]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [ZnCl2]
_chemical_formula_sum '[Zn4 Cl8]'
_cell_volume [1166.6861]
_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
[
  Zn  Zn0  2  0.1689  0.2500  0.0186  1
  Zn  Zn1  2  0.5000  0.0000  0.0000  1
  Cl  Cl2  4  0.3330  0.0177  0.0881  1
  Cl  Cl3  2  0.0000  0.0000  0.0000  1
  Cl  Cl4  2  0.3485  0.2500  0.9250  1
]