# generated using pymatgen
data_FeOF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.09247200
_cell_length_b   9.42739500
_cell_length_c   14.13770690
_cell_angle_alpha   89.90387819
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeOF
_chemical_formula_sum   'Fe12 O12 F12'
_cell_volume   412.16949160
_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  0.00000000  0.00075100  0.00113600  1.0
  Fe  Fe1  1  0.00000000  0.49521600  0.01094900  1.0
  Fe  Fe2  1  0.50000000  0.24486200  0.15171000  1.0
  Fe  Fe3  1  0.50000000  0.74772900  0.14985900  1.0
  Fe  Fe4  1  0.00000000  0.00069400  0.33315400  1.0
  Fe  Fe5  1  0.00000000  0.49715800  0.34451900  1.0
  Fe  Fe6  1  0.50000000  0.73129900  0.49835300  1.0
  Fe  Fe7  1  0.50000000  0.27201900  0.50454800  1.0
  Fe  Fe8  1  0.00000000  0.99542800  0.67857900  1.0
  Fe  Fe9  1  0.00000000  0.50606700  0.65763500  1.0
  Fe  Fe10  1  0.50000000  0.22822800  0.83298100  1.0
  Fe  Fe11  1  0.50000000  0.77092000  0.83836600  1.0
  O  O12  1  0.50000000  0.40290100  0.06409100  1.0
  O  O13  1  0.50000000  0.90776300  0.06765200  1.0
  O  O14  1  0.00000000  0.15123800  0.10276000  1.0
  O  O15  1  0.00000000  0.65373400  0.09878500  1.0
  O  O16  1  0.50000000  0.39721300  0.39474700  1.0
  O  O17  1  0.00000000  0.65514400  0.43251500  1.0
  O  O18  1  0.00000000  0.34446700  0.57017600  1.0
  O  O19  1  0.50000000  0.60237500  0.60487400  1.0
  O  O20  1  0.50000000  0.89648000  0.72766100  1.0
  O  O21  1  0.00000000  0.15646400  0.76509700  1.0
  O  O22  1  0.00000000  0.84594800  0.90124700  1.0
  O  O23  1  0.50000000  0.09772000  0.93747100  1.0
  F  F24  1  0.00000000  0.35231700  0.23035600  1.0
  F  F25  1  0.00000000  0.84474500  0.23354000  1.0
  F  F26  1  0.50000000  0.10753300  0.26717500  1.0
  F  F27  1  0.50000000  0.60013100  0.26529700  1.0
  F  F28  1  0.50000000  0.90034100  0.40304200  1.0
  F  F29  1  0.00000000  0.15040000  0.43740100  1.0
  F  F30  1  0.00000000  0.85294000  0.56161400  1.0
  F  F31  1  0.50000000  0.09059600  0.59486000  1.0
  F  F32  1  0.50000000  0.40876600  0.73682000  1.0
  F  F33  1  0.00000000  0.64632600  0.77281100  1.0
  F  F34  1  0.00000000  0.35224400  0.89633700  1.0
  F  F35  1  0.50000000  0.59184500  0.93188200  1.0