data_[Fe4H6O11]
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 [P1]
_cell_length_a [4.7358]
_cell_length_b [4.9000]
_cell_length_c [8.3816]
_cell_angle_alpha [91.1290]
_cell_angle_beta [100.9970]
_cell_angle_gamma [93.6043]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Fe4H6O11]
_chemical_formula_sum '[Fe4 H6 O11]'
_cell_volume [190.4480]
_cell_formula_units_Z [1]
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  1  0.1206  0.2663  0.1051  1
  Fe  Fe1  1  0.3791  0.2202  0.4356  1
  Fe  Fe2  1  0.5993  0.6837  0.6260  1
  Fe  Fe3  1  0.9218  0.7417  0.9354  1
  H  H4  1  0.1683  0.7252  0.4180  1
  H  H5  1  0.1898  0.4089  0.6943  1
  H  H6  1  0.3392  0.9948  0.8781  1
  H  H7  1  0.3767  0.8577  0.2088  1
  H  H8  1  0.6439  0.3194  0.8802  1
  H  H9  1  0.7072  0.9892  0.1696  1
  O  O10  1  0.0848  0.3978  0.3020  1
  O  O11  1  0.1518  0.0632  0.9059  1
  O  O12  1  0.2540  0.5946  0.0432  1
  O  O13  1  0.2751  0.8550  0.5053  1
  O  O14  1  0.3726  0.3515  0.6630  1
  O  O15  1  0.4635  0.0477  0.2305  1
  O  O16  1  0.5975  0.8845  0.8177  1
  O  O17  1  0.6751  0.5099  0.4543  1
  O  O18  1  0.7357  0.4150  0.9845  1
  O  O19  1  0.8984  0.9331  0.1322  1
  O  O20  1  0.9562  0.6029  0.7389  1
]