# generated using pymatgen
data_HfO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.80995142
_cell_length_b   5.78402975
_cell_length_c   15.91755414
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfO2
_chemical_formula_sum   'Hf12 O24'
_cell_volume   442.84071555
_cell_formula_units_Z   12
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  1  0.00256217  0.34847794  0.08419518  1.0
  Hf  Hf1  1  0.00000000  0.02330779  0.25000000  1.0
  Hf  Hf2  1  0.99743783  0.34847794  0.41580482  1.0
  Hf  Hf3  1  0.00000000  0.97669221  0.75000000  1.0
  Hf  Hf4  1  0.00256217  0.65152206  0.58419518  1.0
  Hf  Hf5  1  0.99743783  0.65152206  0.91580482  1.0
  Hf  Hf6  1  0.49743783  0.15152206  0.58419518  1.0
  Hf  Hf7  1  0.50000000  0.52330779  0.25000000  1.0
  Hf  Hf8  1  0.50256217  0.15152206  0.91580482  1.0
  Hf  Hf9  1  0.50000000  0.47669221  0.75000000  1.0
  Hf  Hf10  1  0.50256217  0.84847794  0.41580482  1.0
  Hf  Hf11  1  0.49743783  0.84847794  0.08419518  1.0
  O  O12  1  0.20437678  0.62984081  0.03011582  1.0
  O  O13  1  0.20437678  0.37015919  0.53011582  1.0
  O  O14  1  0.27861833  0.19095097  0.69574258  1.0
  O  O15  1  0.27861833  0.80904903  0.19574258  1.0
  O  O16  1  0.21233200  0.07256380  0.36229749  1.0
  O  O17  1  0.21233200  0.92743620  0.86229749  1.0
  O  O18  1  0.28766800  0.57256380  0.36229749  1.0
  O  O19  1  0.28766800  0.42743620  0.86229749  1.0
  O  O20  1  0.22138167  0.30904903  0.19574258  1.0
  O  O21  1  0.22138167  0.69095097  0.69574258  1.0
  O  O22  1  0.29562422  0.12984081  0.03011582  1.0
  O  O23  1  0.29562422  0.87015919  0.53011582  1.0
  O  O24  1  0.70437578  0.87015919  0.96988418  1.0
  O  O25  1  0.70437578  0.12984081  0.46988418  1.0
  O  O26  1  0.77861833  0.30904903  0.30425742  1.0
  O  O27  1  0.77861833  0.69095097  0.80425742  1.0
  O  O28  1  0.71233200  0.42743620  0.63770251  1.0
  O  O29  1  0.71233200  0.57256380  0.13770251  1.0
  O  O30  1  0.78766800  0.92743620  0.63770251  1.0
  O  O31  1  0.78766800  0.07256380  0.13770251  1.0
  O  O32  1  0.72138167  0.19095097  0.80425742  1.0
  O  O33  1  0.72138167  0.80904903  0.30425742  1.0
  O  O34  1  0.79562422  0.37015919  0.96988418  1.0
  O  O35  1  0.79562422  0.62984081  0.46988418  1.0