data_PrFeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.93
_cell_length_b   5.93
_cell_length_c   5.93
_cell_angle_alpha   55.31
_cell_angle_beta   55.31
_cell_angle_gamma   55.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PrFeO3
_chemical_formula_sum   'Pr2 Fe2 O6'
_cell_volume   131.31
_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  0.92  1.0
  Pr  Pr9  1  0.0  0.0  0.09  1.0
  Fe  Fe0  1  0.0  0.0  0.19  1.0
  Fe  Fe1  1  0.0  0.0  0.82  1.0
  O  O2  1  0.74  0.67  0.16  1.0
  O  O3  1  0.42  0.67  0.16  1.0
  O  O4  1  0.84  0.66  0.16  1.0
  O  O5  1  0.16  0.34  0.85  1.0
  O  O6  1  0.58  0.33  0.85  1.0
  O  O7  1  0.26  0.33  0.85  1.0

data_PrFeO3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.5
_cell_length_b   5.5
_cell_length_c   5.93
_cell_angle_alpha   62.35
_cell_angle_beta   62.35
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   PrFeO3
_chemical_formula_sum   'Pr2 Fe2 O6'
_cell_volume   131.31
_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  0.41  0.09  1.0
  Fe  Fe1  2  0.0  0.32  0.18  1.0
  O  O2  2  0.33  0.34  0.24  1.0
  O  O3  2  0.33  0.34  0.56  1.0
  O  O4  2  0.34  0.34  0.66  1.0

Pr Pr Fe Fe O O O O O O