data_[Fe16O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.1487]
_cell_length_b [12.5635]
_cell_length_c [5.7609]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.9956]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Fe4O5]
_chemical_formula_sum '[Fe16 O20]'
_cell_volume [358.2227]
_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
[
  Fe  Fe0  4  0.0020  0.0026  0.7381  1
  Fe  Fe1  4  0.4697  0.6171  0.1094  1
  Fe  Fe2  4  0.4809  0.6113  0.6270  1
  Fe  Fe3  2  0.0124  0.2500  0.0027  1
  Fe  Fe4  2  0.0198  0.2500  0.5097  1
  O  O5  4  0.1740  0.6451  0.7763  1
  O  O6  4  0.1794  0.6463  0.3129  1
  O  O7  4  0.2743  0.0416  0.0733  1
  O  O8  4  0.2916  0.0435  0.5682  1
  O  O9  2  0.3101  0.2500  0.8170  1
  O  O10  2  0.3236  0.2500  0.3387  1
]