data_[Zr8O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.4178]
_cell_length_b [4.0281]
_cell_length_c [7.1500]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1752]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ZrO2]
_chemical_formula_sum '[Zr8 O16]'
_cell_volume [369.2116]
_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
[
  Zr  Zr0  4  0.1011  0.0000  0.7116  1.0
  Zr  Zr1  4  0.1921  0.0000  0.2869  1.0
  O  O2  4  0.0587  0.0000  0.3779  1.0
  O  O3  4  0.1288  0.0000  0.0038  1.0
  O  O4  4  0.1445  0.5000  0.7105  1.0
  O  O5  4  0.2394  0.5000  0.3532  1.0
]