data_PrHfO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.15
_cell_length_b   6.15
_cell_length_c   6.15
_cell_angle_alpha   53.96
_cell_angle_beta   53.96
_cell_angle_gamma   53.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PrHfO3
_chemical_formula_sum   'Pr2 Hf2 O6'
_cell_volume   141.02
_cell_formula_units_Z   2
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
  Pr  Pr8  1  0.0  0.0  0.94  1.0
  Pr  Pr9  1  0.0  0.0  0.77  1.0
  Hf  Hf0  1  0.0  0.0  0.39  1.0
  Hf  Hf1  1  0.0  0.0  0.31  1.0
  O  O2  1  0.71  0.87  0.57  1.0
  O  O3  1  0.62  0.44  0.57  1.0
  O  O4  1  0.67  0.68  0.57  1.0
  O  O5  1  0.33  0.32  0.14  1.0
  O  O6  1  0.38  0.56  0.14  1.0
  O  O7  1  0.29  0.13  0.14  1.0

data_PrHfO3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.58
_cell_length_b   5.58
_cell_length_c   6.15
_cell_angle_alpha   63.02
_cell_angle_beta   63.02
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   PrHfO3
_chemical_formula_sum   'Pr2 Hf2 O6'
_cell_volume   141.02
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Pr  Pr0  2  0.0  0.08  0.42  1.0
  Hf  Hf1  2  0.0  0.46  0.04  1.0
  O  O2  2  0.13  0.29  0.79  1.0
  O  O3  2  0.32  0.29  0.57  1.0
  O  O4  2  0.44  0.71  0.72  1.0

Pr Pr Hf Hf O O O O O O