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 [P2_1/m]
_cell_length_a [4.6255]
_cell_length_b [6.0177]
_cell_length_c [9.2324]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.8826]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Fe4O7F]
_chemical_formula_sum '[Fe8 O14 F2]'
_cell_volume [256.8446]
_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  0.0179  0.0052  0.7427  1
  Fe  Fe1  2  0.4754  0.7500  0.0135  1
  Fe  Fe2  2  0.4963  0.7500  0.5007  1
  O  O3  4  0.3029  0.0022  0.4038  1
  O  O4  4  0.3122  0.5021  0.9029  1
  O  O5  2  0.1744  0.7500  0.1617  1
  O  O6  2  0.1951  0.7500  0.6527  1
  O  O7  2  0.2134  0.2500  0.6473  1
  F  F8  2  0.1890  0.2500  0.1503  1
]