data_[Fe8O14F2]
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 [Pmmn]
_cell_length_a [6.0276]
_cell_length_b [6.4236]
_cell_length_c [6.6264]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Fe4O7F]
_chemical_formula_sum '[Fe8 O14 F2]'
_cell_volume [256.5649]
_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  0.2431  0.5000  0.2585  1
  Fe  Fe1  2  0.0000  0.0000  0.2690  1
  Fe  Fe2  2  0.0000  0.5000  0.7560  1
  O  O3  8  0.2474  0.3069  0.7522  1
  O  O4  2  0.0000  0.0000  0.5664  1
  O  O5  2  0.0000  0.5000  0.0635  1
  O  O6  2  0.0000  0.5000  0.4523  1
  F  F7  2  0.0000  0.0000  0.9512  1
]