data_[Pr4Fe2Ru2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Fe  1.8300  1.4000  0.8525
  Ru  2.2000  1.3000  0.6610
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.5015]
_cell_length_b [5.7901]
_cell_length_c [9.5647]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.5795]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Pr2FeRuO6]
_chemical_formula_sum '[Pr4 Fe2 Ru2 O12]'
_cell_volume [250.8547]
_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  0.2333  0.0625  0.2504  1.0
  Fe  Fe1  2  0.5000  0.0000  0.0000  1.0
  Ru  Ru2  2  0.0000  0.0000  0.5000  1.0
  O  O3  4  0.1521  0.2002  0.9523  1.0
  O  O4  4  0.2544  0.7068  0.9514  1.0
  O  O5  4  0.3448  0.0259  0.7516  1.0
]