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 [Cmcm]
_cell_length_a [2.9075]
_cell_length_b [10.1666]
_cell_length_c [12.8059]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Fe4O5]
_chemical_formula_sum '[Fe16 O20]'
_cell_volume [378.5345]
_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  8  0.0000  0.2612  0.6153  1.0
  Fe  Fe1  4  0.0000  0.0000  0.0000  1.0
  Fe  Fe2  4  0.0000  0.4951  0.2500  1.0
  O  O3  8  0.0000  0.0807  0.1487  1.0
  O  O4  8  0.0000  0.3679  0.0362  1.0
  O  O5  4  0.0000  0.1496  0.7500  1.0
]