data_[Ca2Pr2Fe4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  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 [Pmn2_1]
_cell_length_a [7.7634]
_cell_length_b [5.5406]
_cell_length_c [5.4776]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [CaPr(FeO3)2]
_chemical_formula_sum '[Ca2 Pr2 Fe4 O12]'
_cell_volume [235.6140]
_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
[
  Ca  Ca0  2  0.0000  0.2083  0.4911  1
  Pr  Pr1  2  0.0000  0.7090  0.0099  1
  Fe  Fe2  4  0.2497  0.2479  0.0005  1
  O  O3  4  0.2067  0.4628  0.2863  1
  O  O4  4  0.2092  0.9630  0.2141  1
  O  O5  2  0.0000  0.2682  0.9197  1
  O  O6  2  0.0000  0.7693  0.5776  1
]