# generated using pymatgen
data_FeOF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.49034302
_cell_length_b   14.09870300
_cell_length_c   3.09642800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.99626869
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeOF
_chemical_formula_sum   'Fe12 O12 F12'
_cell_volume   414.30679547
_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  0.01074800  0.99504100  0.00000000  1.0
  Fe  Fe1  1  0.02412400  0.32539000  0.00000000  1.0
  Fe  Fe2  1  0.99547800  0.67041900  0.00000000  1.0
  Fe  Fe3  1  0.26748100  0.17846000  0.50000000  1.0
  Fe  Fe4  1  0.21768000  0.50481100  0.50000000  1.0
  Fe  Fe5  1  0.21730300  0.82726400  0.50000000  1.0
  Fe  Fe6  1  0.50838700  0.32899200  0.00000000  1.0
  Fe  Fe7  1  0.52458500  0.98651200  0.00000000  1.0
  Fe  Fe8  1  0.50423000  0.67192100  0.00000000  1.0
  Fe  Fe9  1  0.72609300  0.16403500  0.50000000  1.0
  Fe  Fe10  1  0.77617100  0.51163500  0.50000000  1.0
  Fe  Fe11  1  0.74543200  0.81833700  0.50000000  1.0
  O  O12  1  0.10088900  0.26429800  0.50000000  1.0
  O  O13  1  0.08517400  0.60906400  0.50000000  1.0
  O  O14  1  0.09529300  0.93921900  0.50000000  1.0
  O  O15  1  0.13863900  0.76483700  0.00000000  1.0
  O  O16  1  0.14512900  0.43979000  0.00000000  1.0
  O  O17  1  0.35458400  0.23376300  0.00000000  1.0
  O  O18  1  0.60179900  0.27497000  0.50000000  1.0
  O  O19  1  0.60370600  0.92438300  0.50000000  1.0
  O  O20  1  0.65010600  0.09908500  0.00000000  1.0
  O  O21  1  0.65555400  0.76120700  0.00000000  1.0
  O  O22  1  0.85505500  0.57286700  0.00000000  1.0
  O  O23  1  0.90014100  0.73144300  0.50000000  1.0
  F  F24  1  0.15630800  0.10215900  0.00000000  1.0
  F  F25  1  0.34578400  0.57293100  0.00000000  1.0
  F  F26  1  0.34509600  0.89359500  0.00000000  1.0
  F  F27  1  0.40087200  0.05940000  0.50000000  1.0
  F  F28  1  0.40339100  0.40708900  0.50000000  1.0
  F  F29  1  0.39410700  0.73396000  0.50000000  1.0
  F  F30  1  0.59234500  0.59416800  0.50000000  1.0
  F  F31  1  0.65923800  0.44183500  0.00000000  1.0
  F  F32  1  0.84932600  0.23265800  0.00000000  1.0
  F  F33  1  0.84796100  0.89986400  0.00000000  1.0
  F  F34  1  0.90323200  0.06993400  0.50000000  1.0
  F  F35  1  0.89855500  0.39466300  0.50000000  1.0