data_[Ba2Pr2Fe2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Pr  1.1300  1.8500  1.0600
  Fe  1.8300  1.4000  0.8525
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.9797]
_cell_length_b [3.9797]
_cell_length_c [13.0401]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [BaPrFeO4]
_chemical_formula_sum '[Ba2 Pr2 Fe2 O8]'
_cell_volume [206.5258]
_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
[
  Ba  Ba0  2  0.0000  0.0000  0.6459  1.0
  Pr  Pr1  2  0.0000  0.0000  0.3622  1.0
  Fe  Fe2  2  0.0000  0.0000  0.9965  1.0
  O  O3  4  0.0000  0.5000  0.4880  1.0
  O  O4  2  0.0000  0.0000  0.1793  1.0
  O  O5  2  0.0000  0.0000  0.8402  1.0
]