data_[Pr4Fe2Cu2O12]
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
  Cu  1.9000  1.3500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.6314]
_cell_length_b [5.4700]
_cell_length_c [5.5865]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.4705]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr2FeCuO6]
_chemical_formula_sum '[Pr4 Fe2 Cu2 O12]'
_cell_volume [239.6962]
_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  0.2493  0.5000  0.2608  1.0
  Fe  Fe1  2  0.0000  0.5000  0.5000  1.0
  Cu  Cu2  2  0.0000  0.0000  0.0000  1.0
  O  O3  8  0.0488  0.2482  0.3030  1.0
  O  O4  4  0.2477  0.5000  0.8332  1.0
]