data_[Fe8O10F6]
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 [Pc]
_cell_length_a [5.6125]
_cell_length_b [4.6929]
_cell_length_c [10.3174]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.2971]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [Fe4O5F3]
_chemical_formula_sum '[Fe8 O10 F6]'
_cell_volume [270.5875]
_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  2  0.0001  0.2569  0.4961  1
  Fe  Fe1  2  0.2397  0.2011  0.2563  1
  Fe  Fe2  2  0.5079  0.2278  0.0131  1
  Fe  Fe3  2  0.7540  0.2726  0.7360  1
  O  O4  2  0.0175  0.0682  0.6611  1
  O  O5  2  0.2635  0.0503  0.4327  1
  O  O6  2  0.5231  0.0460  0.1803  1
  O  O7  2  0.7379  0.4560  0.5644  1
  O  O8  2  0.9758  0.4325  0.3307  1
  F  F9  2  0.2384  0.4445  0.0838  1
  F  F10  2  0.4731  0.4460  0.8281  1
  F  F11  2  0.7689  0.0624  0.9174  1
]