data_[Fe8O2F14]
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 [Cm]
_cell_length_a [9.5668]
_cell_length_b [6.5683]
_cell_length_c [4.7918]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.4934]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Fe4OF7]
_chemical_formula_sum '[Fe8 O2 F14]'
_cell_volume [301.0027]
_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  0.2456  0.2559  0.9909  1.0
  Fe  Fe1  2  0.0126  0.5000  0.5211  1.0
  Fe  Fe2  2  0.4982  0.5000  0.5018  1.0
  O  O3  2  0.1502  0.5000  0.7922  1.0
  F  F4  4  0.0955  0.2585  0.3044  1.0
  F  F5  4  0.4019  0.2361  0.6914  1.0
  F  F6  2  0.1476  0.0000  0.8022  1.0
  F  F7  2  0.3526  0.0000  0.2106  1.0
  F  F8  2  0.3528  0.5000  0.1987  1.0
]