data_[Zn6O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pcc2]
_cell_length_a [3.0670]
_cell_length_b [19.6188]
_cell_length_c [6.8090]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [27]
_chemical_formula_structural [ZnO]
_chemical_formula_sum '[Zn6 O6]'
_cell_volume [409.7099]
_cell_formula_units_Z [6]
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  4  0.2514  0.3847  0.2330  1
  Zn  Zn1  2  0.5000  0.5000  0.4498  1
  O  O2  4  0.2400  0.3823  0.9293  1
  O  O3  2  0.5000  0.5000  0.1992  1
]