# generated using pymatgen
data_FeOF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.49101077
_cell_length_b   14.17751803
_cell_length_c   3.07830600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.08701308
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeOF
_chemical_formula_sum   'Fe12 O12 F12'
_cell_volume   414.21322669
_cell_formula_units_Z   12
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  0.01021800  0.00648300  0.00000000  1.0
  Fe  Fe1  1  0.99011100  0.34013800  0.00000000  1.0
  Fe  Fe2  1  0.02285600  0.66114200  0.00000000  1.0
  Fe  Fe3  1  0.21561800  0.17584000  0.50000000  1.0
  Fe  Fe4  1  0.22917700  0.49135800  0.50000000  1.0
  Fe  Fe5  1  0.26346000  0.80653800  0.50000000  1.0
  Fe  Fe6  1  0.52043900  0.33520800  0.00000000  1.0
  Fe  Fe7  1  0.49567400  0.00692200  0.00000000  1.0
  Fe  Fe8  1  0.51682100  0.66051300  0.00000000  1.0
  Fe  Fe9  1  0.75116800  0.18839500  0.50000000  1.0
  Fe  Fe10  1  0.74427600  0.49264700  0.50000000  1.0
  Fe  Fe11  1  0.74030600  0.82511100  0.50000000  1.0
  O  O12  1  0.08676700  0.27418800  0.50000000  1.0
  O  O13  1  0.10164600  0.60126100  0.50000000  1.0
  O  O14  1  0.13921300  0.10268500  0.00000000  1.0
  O  O15  1  0.15463000  0.76938000  0.00000000  1.0
  O  O16  1  0.14759600  0.43285600  0.00000000  1.0
  O  O17  1  0.41698500  0.72113900  0.50000000  1.0
  O  O18  1  0.58915900  0.26634400  0.50000000  1.0
  O  O19  1  0.60499400  0.59811000  0.50000000  1.0
  O  O20  1  0.65097000  0.43634600  0.00000000  1.0
  O  O21  1  0.66045400  0.76854200  0.00000000  1.0
  O  O22  1  0.84833600  0.23367000  0.00000000  1.0
  O  O23  1  0.89561700  0.40504400  0.50000000  1.0
  F  F24  1  0.09959100  0.93721800  0.50000000  1.0
  F  F25  1  0.33498600  0.23370300  0.00000000  1.0
  F  F26  1  0.35085600  0.55654600  0.00000000  1.0
  F  F27  1  0.35077600  0.89583500  0.00000000  1.0
  F  F28  1  0.39193200  0.07319700  0.50000000  1.0
  F  F29  1  0.40033700  0.39723700  0.50000000  1.0
  F  F30  1  0.60567700  0.93802800  0.50000000  1.0
  F  F31  1  0.65833900  0.10123800  0.00000000  1.0
  F  F32  1  0.85564500  0.90043400  0.00000000  1.0
  F  F33  1  0.85030300  0.57199400  0.00000000  1.0
  F  F34  1  0.89723800  0.05990300  0.50000000  1.0
  F  F35  1  0.90783200  0.73480500  0.50000000  1.0