# generated using pymatgen
data_HfO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.00476369
_cell_length_b   5.03268505
_cell_length_c   5.21946336
_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   'Hf4 O8'
_cell_volume   131.46470831
_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
  Hf  Hf0  1  0.26747918  0.24144035  0.03300600  1.0
  Hf  Hf1  1  0.26747918  0.74144035  0.46699400  1.0
  Hf  Hf2  1  0.73252082  0.24144035  0.53300600  1.0
  Hf  Hf3  1  0.73252082  0.74144035  0.96699400  1.0
  O  O4  1  0.07135460  0.37926726  0.36787255  1.0
  O  O5  1  0.07135460  0.87926726  0.13212745  1.0
  O  O6  1  0.46011695  0.49229239  0.73394852  1.0
  O  O7  1  0.46011695  0.99229239  0.76605148  1.0
  O  O8  1  0.53988305  0.99229239  0.26605148  1.0
  O  O9  1  0.53988305  0.49229239  0.23394852  1.0
  O  O10  1  0.92864540  0.37926726  0.86787255  1.0
  O  O11  1  0.92864540  0.87926726  0.63212745  1.0