data_[Zn16Cl40O16]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Fdd2]
_cell_length_a [9.2870]
_cell_length_b [22.4271]
_cell_length_c [9.6215]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [43]
_chemical_formula_structural [Zn2Cl5O2]
_chemical_formula_sum '[Zn16 Cl40 O16]'
_cell_volume [2003.9646]
_cell_formula_units_Z [8]
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  16  0.0298  0.4116  0.4828  1
  Cl  Cl1  16  0.0126  0.3385  0.6528  1
  Cl  Cl2  16  0.1198  0.3606  0.0649  1
  Cl  Cl3  8  0.0000  0.0000  0.1027  1
  O  O4  16  0.0636  0.4939  0.0837  1
]