data_[Hf8Zr8O32]
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 [Cm]
_cell_length_a [12.6245]
_cell_length_b [7.2443]
_cell_length_c [7.2438]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.9823]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [HfZrO4]
_chemical_formula_sum '[Hf8 Zr8 O32]'
_cell_volume [542.7977]
_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  0.1144  0.2493  0.1234  1
  Hf  Hf1  2  0.3641  0.5000  0.6217  1
  Hf  Hf2  2  0.3650  0.5000  0.1237  1
  Zr  Zr3  4  0.1158  0.2493  0.6255  1
  Zr  Zr4  2  0.3655  0.0000  0.6253  1
  Zr  Zr5  2  0.3659  0.0000  0.1266  1
  O  O6  4  0.2210  0.2738  0.9841  1
  O  O7  4  0.2211  0.2314  0.4763  1
  O  O8  4  0.4725  0.2387  0.2261  1
  O  O9  4  0.4731  0.2666  0.7332  1
  O  O10  2  0.0071  0.0000  0.4948  1
  O  O11  2  0.0082  0.5000  0.5374  1
  O  O12  2  0.0107  0.0000  0.0435  1
  O  O13  2  0.0115  0.5000  0.9995  1
  O  O14  2  0.2550  0.0000  0.2502  1
  O  O15  2  0.2567  0.0000  0.7795  1
  O  O16  2  0.2583  0.5000  0.2812  1
  O  O17  2  0.2602  0.5000  0.7560  1
]