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 [P-1]
_cell_length_a [4.8120]
_cell_length_b [5.8291]
_cell_length_c [10.8274]
_cell_angle_alpha [97.8958]
_cell_angle_beta [90.5209]
_cell_angle_gamma [90.1537]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Fe4OF7]
_chemical_formula_sum '[Fe8 O2 F14]'
_cell_volume [300.8081]
_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  0.0066  0.1304  0.8754  1
  Fe  Fe1  2  0.0125  0.3923  0.6290  1
  Fe  Fe2  2  0.4783  0.8559  0.6261  1
  Fe  Fe3  2  0.4877  0.6230  0.8670  1
  O  O4  2  0.3091  0.6191  0.6922  1
  F  F5  2  0.1979  0.5968  0.1997  1
  F  F6  2  0.2021  0.3306  0.4490  1
  F  F7  2  0.2034  0.8551  0.9515  1
  F  F8  2  0.2125  0.1033  0.6959  1
  F  F9  2  0.2978  0.0832  0.2124  1
  F  F10  2  0.3046  0.3509  0.9535  1
  F  F11  2  0.3088  0.8538  0.4521  1
]