[CIF]
data_FeOF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.76543200
_cell_length_b   3.06760000
_cell_length_c   14.17528934
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.56505325
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeOF
_chemical_formula_sum   'Fe6 O6 F6'
_cell_volume   207.21052833
_cell_formula_units_Z   6
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  1  4.69400293  0.00000000  0.05411862  1
  Fe  Fe1  1  4.65513281  0.00000000  9.44822138  1
  Fe  Fe2  1  4.67548099  0.00000000  4.70666176  1
  Fe  Fe3  1  2.25906060  1.53380000  11.50263120  1
  Fe  Fe4  1  2.30108367  1.53380000  7.38856695  1
  Fe  Fe5  1  2.60636288  1.53380000  2.36809372  1
  O  O6  1  3.75300996  1.53380000  10.35448860  1
  O  O7  1  3.83356127  1.53380000  0.84849156  1
  O  O8  1  3.30281279  0.00000000  3.28701887  1
  O  O9  1  3.23709671  0.00000000  7.99002358  1
  O  O10  1  1.29650691  0.00000000  10.93954522  1
  O  O11  1  0.79094509  1.53380000  8.52908361  1
  F  F12  1  3.73687176  1.53380000  5.67886922  1
  F  F13  1  3.20508857  0.00000000  12.77786327  1
  F  F14  1  1.37845009  0.00000000  6.08811827  1
  F  F15  1  1.41794941  0.00000000  1.42253451  1
  F  F16  1  0.76545027  1.53380000  13.35858245  1
  F  F17  1  0.93990212  1.53380000  3.74120140  1
[/CIF]
