data_[Hf8Zr8O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Zr  1.3300  1.5500  0.8600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [8.7188]
_cell_length_b [8.3216]
_cell_length_c [6.3186]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.3899]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [HfZrO]
_chemical_formula_sum '[Hf8 Zr8 O8]'
_cell_volume [399.4410]
_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
[
  Hf  Hf0  4  0.0366  0.0047  0.6259  1
  Hf  Hf1  4  0.1884  0.3091  0.0261  1
  Zr  Zr2  4  0.1927  0.3237  0.5298  1
  Zr  Zr3  4  0.3839  0.0035  0.5613  1
  O  O4  4  0.4696  0.2553  0.5991  1
  O  O5  4  0.4722  0.2480  0.1399  1
]