data_[Fe20H4O32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  H  2.2000  0.2500  0.0000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [5.9593]
_cell_length_b [10.2265]
_cell_length_c [9.1508]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Fe5HO8]
_chemical_formula_sum '[Fe20 H4 O32]'
_cell_volume [557.6773]
_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  0.2484  0.4208  0.1289  1
  Fe  Fe1  4  0.0000  0.1702  0.1321  1
  Fe  Fe2  4  0.0000  0.3288  0.4612  1
  Fe  Fe3  4  0.0000  0.3309  0.8356  1
  H  H4  4  0.0000  0.0328  0.9010  1
  O  O5  8  0.2233  0.2614  0.0054  1
  O  O6  8  0.2461  0.0864  0.2343  1
  O  O7  4  0.0000  0.0138  0.0071  1
  O  O8  4  0.0000  0.1559  0.7389  1
  O  O9  4  0.0000  0.3282  0.2543  1
  O  O10  4  0.0000  0.4859  0.0022  1
]