# generated using pymatgen
data_BaHfO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.17004239
_cell_length_b   4.16909121
_cell_length_c   4.17037663
_cell_angle_alpha   89.99946430
_cell_angle_beta   89.99434031
_cell_angle_gamma   89.99884047
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaHfO3
_chemical_formula_sum   'Ba1 Hf1 O3'
_cell_volume   72.50319462
_cell_formula_units_Z   1
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
  Ba  Ba0  1  0.98792422  0.99996520  0.99642496  1.0
  Hf  Hf1  1  0.48800739  0.49998673  0.49787533  1.0
  O  O2  1  0.48803115  0.00000820  0.49889014  1.0
  O  O3  1  0.98799671  0.50002674  0.49886535  1.0
  O  O4  1  0.48804153  0.50001213  0.99794122  1.0