data_[Ba4Gd4Fe16O28]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Gd  1.2000  1.8000  1.0750
  Fe  1.8300  1.4000  0.8525
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [6.2824]
_cell_length_b [11.5711]
_cell_length_c [10.6315]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [BaGdFe4O7]
_chemical_formula_sum '[Ba4 Gd4 Fe16 O28]'
_cell_volume [772.8472]
_cell_formula_units_Z [4]
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  4  0.0000  0.3076  0.0020  1
  Gd  Gd1  4  0.0000  0.3204  0.6287  1
  Fe  Fe2  8  0.2217  0.4215  0.3198  1
  Fe  Fe3  4  0.0000  0.0019  0.5583  1
  Fe  Fe4  4  0.0000  0.1687  0.3117  1
  O  O5  8  0.2301  0.2767  0.2307  1
  O  O6  8  0.2392  0.1030  0.9983  1
  O  O7  4  0.0000  0.0017  0.2561  1
  O  O8  4  0.0000  0.1633  0.4955  1
  O  O9  4  0.0000  0.4621  0.7867  1
]