[CIF]
data_PrFeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.66426904
_cell_length_b   7.92897826
_cell_length_c   5.51738774
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PrFeO3
_chemical_formula_sum   'Pr4 Fe4 O12'
_cell_volume   247.79617927
_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  0.27350025  1.98224457  2.81920885  1
  Pr  Pr1  1  3.10563477  1.98224457  5.45687276  1
  Pr  Pr2  1  5.39076879  5.94673369  2.69817889  1
  Pr  Pr3  1  2.55863427  5.94673369  0.06051498  1
  Fe  Fe4  1  2.83213452  0.00000000  2.75869387  1
  Fe  Fe5  1  0.00000000  3.96448913  0.00000000  1
  Fe  Fe6  1  2.83213452  3.96448913  2.75869387  1
  Fe  Fe7  1  0.00000000  0.00000000  0.00000000  1
  O  O8  1  2.69086544  1.98224457  2.26750285  1
  O  O9  1  5.52299996  1.98224457  0.49119102  1
  O  O10  1  2.97340360  5.94673369  3.24988489  1
  O  O11  1  0.14126908  5.94673369  5.02619672  1
  O  O12  1  1.66614695  0.37373857  4.37518503  1
  O  O13  1  4.49828147  3.59075056  3.90089658  1
  O  O14  1  3.99812209  4.33822770  1.14220271  1
  O  O15  1  1.16598757  7.55523969  1.61649116  1
  O  O16  1  3.99812209  7.55523969  1.14220271  1
  O  O17  1  1.16598757  4.33822770  1.61649116  1
  O  O18  1  1.66614695  3.59075056  4.37518503  1
  O  O19  1  4.49828147  0.37373857  3.90089658  1
[/CIF]
