data_ZnO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.64
_cell_length_b   5.64
_cell_length_c   3.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnO
_chemical_formula_sum   'Zn4 O4'
_cell_volume   104.23
_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  1  0.02  0.02  0.64  1.0
  Zn  Zn1  1  0.62  0.62  0.64  1.0
  Zn  Zn2  1  0.84  0.8  0.0  1.0
  Zn  Zn3  1  0.8  0.84  0.0  1.0
  O  O4  1  0.62  0.02  0.64  1.0
  O  O5  1  0.02  0.62  0.64  1.0
  O  O6  1  0.84  0.84  0.0  1.0
  O  O7  1  0.8  0.8  0.0  1.0

data_ZnO
_symmetry_space_group_name_H-M   Cmm2
_cell_length_a   7.97
_cell_length_b   7.97
_cell_length_c   3.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   35
_chemical_formula_structural   ZnO
_chemical_formula_sum   'Zn8 O8'
_cell_volume   208.46
_cell_formula_units_Z   8
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  '-x, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, z'
  7  '-x+1/2, y+1/2, z'
  8  'x+1/2, -y+1/2, 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  0.0  0.2  0.64  1.0
  Zn  Zn1  4  0.02  0.0  0.0  1.0
  O  O2  4  0.0  0.02  0.0  1.0
  O  O3  4  0.2  0.0  0.64  1.0

Zn Zn Zn Zn O O O O