data_[Pr4Al2Fe2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Al  1.6100  1.2500  0.6750
  Fe  1.8300  1.4000  0.8525
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.4390]
_cell_length_b [5.4094]
_cell_length_c [9.3799]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.3547]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Pr2AlFeO6]
_chemical_formula_sum '[Pr4 Al2 Fe2 O12]'
_cell_volume [225.0826]
_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  Pr0  4  0.2435  0.0242  0.2499  1
  Al  Al1  2  0.0000  0.0000  0.5000  1
  Fe  Fe2  2  0.5000  0.0000  0.0000  1
  O  O3  4  0.1886  0.2317  0.9635  1
  O  O4  4  0.2321  0.7259  0.9645  1
  O  O5  4  0.3131  0.0077  0.7464  1
]