# generated using pymatgen
data_PrHfO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.75929200
_cell_length_b   5.88939000
_cell_length_c   8.15655400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PrHfO3
_chemical_formula_sum   'Pr4 Hf4 O12'
_cell_volume   276.65984447
_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
  Pr  Pr0  1  0.50413100  0.06070800  0.25000000  1.0
  Pr  Pr1  1  0.00413100  0.43929200  0.75000000  1.0
  Pr  Pr2  1  0.99586900  0.56070800  0.25000000  1.0
  Pr  Pr3  1  0.49586900  0.93929200  0.75000000  1.0
  Hf  Hf4  1  0.00000000  0.00000000  0.00000000  1.0
  Hf  Hf5  1  0.00000000  0.00000000  0.50000000  1.0
  Hf  Hf6  1  0.50000000  0.50000000  0.00000000  1.0
  Hf  Hf7  1  0.50000000  0.50000000  0.50000000  1.0
  O  O8  1  0.08410200  0.03076400  0.75000000  1.0
  O  O9  1  0.68904600  0.19500500  0.54279000  1.0
  O  O10  1  0.68904600  0.19500500  0.95721000  1.0
  O  O11  1  0.18904600  0.30499500  0.04279000  1.0
  O  O12  1  0.18904600  0.30499500  0.45721000  1.0
  O  O13  1  0.58410200  0.46923600  0.25000000  1.0
  O  O14  1  0.41589800  0.53076400  0.75000000  1.0
  O  O15  1  0.81095400  0.69500500  0.54279000  1.0
  O  O16  1  0.81095400  0.69500500  0.95721000  1.0
  O  O17  1  0.31095400  0.80499500  0.04279000  1.0
  O  O18  1  0.31095400  0.80499500  0.45721000  1.0
  O  O19  1  0.91589800  0.96923600  0.25000000  1.0