data_[Fe20O22F18]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [6.4965]
_cell_length_b [6.9560]
_cell_length_c [15.3083]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1886]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Fe10O11F9]
_chemical_formula_sum '[Fe20 O22 F18]'
_cell_volume [691.7754]
_cell_formula_units_Z [2]
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  0.0008  0.4960  0.0987  1
  Fe  Fe1  4  0.0053  0.9910  0.2055  1
  Fe  Fe2  4  0.0108  0.5273  0.2920  1
  Fe  Fe3  4  0.0285  0.9771  0.5989  1
  Fe  Fe4  2  0.0000  0.5243  0.5000  1
  Fe  Fe5  2  0.0000  1.0000  0.0000  1
  O  O6  4  0.0040  0.8092  0.7011  1
  O  O7  4  0.1780  0.5004  0.3986  1
  O  O8  4  0.1937  0.5005  0.8057  1
  O  O9  4  0.1954  0.4974  0.9999  1
  O  O10  4  0.2015  0.5010  0.1923  1
  O  O11  2  0.0000  0.8047  0.5000  1
  F  F12  4  0.0027  0.1894  0.0984  1
  F  F13  4  0.0031  0.8070  0.0974  1
  F  F14  4  0.0037  0.1926  0.6993  1
  F  F15  4  0.2087  0.5030  0.6022  1
  F  F16  2  0.0000  0.1874  0.5000  1
]