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 [P-1]
_cell_length_a [4.6456]
_cell_length_b [7.5474]
_cell_length_c [7.5923]
_cell_angle_alpha [104.2473]
_cell_angle_beta [91.5847]
_cell_angle_gamma [90.9137]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Fe4O7F]
_chemical_formula_sum '[Fe8 O14 F2]'
_cell_volume [257.8449]
_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  0.0177  0.2455  0.7359  1
  Fe  Fe1  2  0.4757  0.3867  0.1347  1
  Fe  Fe2  2  0.4966  0.8766  0.6292  1
  Fe  Fe3  1  0.0000  0.0000  0.0000  1
  Fe  Fe4  1  0.0000  0.5000  0.5000  1
  O  O5  2  0.1800  0.5332  0.2876  1
  O  O6  2  0.1878  0.0305  0.7809  1
  O  O7  2  0.1965  0.2844  0.5185  1
  O  O8  2  0.3067  0.9048  0.4045  1
  O  O9  2  0.3073  0.1535  0.1494  1
  O  O10  2  0.3092  0.6548  0.6590  1
  O  O11  2  0.3093  0.4030  0.9032  1
  F  F12  2  0.1997  0.7713  0.0287  1
]