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 [Amm2]
_cell_length_a [6.3679]
_cell_length_b [6.9024]
_cell_length_c [6.8275]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Fe4OF7]
_chemical_formula_sum '[Fe8 O2 F14]'
_cell_volume [300.0938]
_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  0.2695  0.0000  0.9908  1.0
  Fe  Fe1  2  0.0000  0.0000  0.4935  1.0
  Fe  Fe2  2  0.5000  0.0000  0.5198  1.0
  O  O3  2  0.5000  0.0000  0.8054  1.0
  F  F4  8  0.2445  0.2068  0.4992  1.0
  F  F5  2  0.0000  0.0000  0.1874  1.0
  F  F6  2  0.0000  0.0000  0.8008  1.0
  F  F7  2  0.5000  0.0000  0.2148  1.0
]