# generated using pymatgen
data_FeOF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.16942620
_cell_length_b   9.43973418
_cell_length_c   3.08534400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.15061250
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeOF
_chemical_formula_sum   'Fe12 O12 F12'
_cell_volume   412.68066396
_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  0.00507300  0.00827700  0.00000000  1.0
  Fe  Fe1  1  0.01233000  0.49738100  0.00000000  1.0
  Fe  Fe2  1  0.15608900  0.24624800  0.50000000  1.0
  Fe  Fe3  1  0.16573800  0.72824200  0.50000000  1.0
  Fe  Fe4  1  0.34611500  0.99757700  0.00000000  1.0
  Fe  Fe5  1  0.33302900  0.51425300  0.00000000  1.0
  Fe  Fe6  1  0.48689700  0.74600200  0.50000000  1.0
  Fe  Fe7  1  0.50094400  0.22753200  0.50000000  1.0
  Fe  Fe8  1  0.67264200  0.00769000  0.00000000  1.0
  Fe  Fe9  1  0.67725400  0.50017500  0.00000000  1.0
  Fe  Fe10  1  0.81918600  0.25073800  0.50000000  1.0
  Fe  Fe11  1  0.81898200  0.75119900  0.50000000  1.0
  O  O12  1  0.06467200  0.40425200  0.50000000  1.0
  O  O13  1  0.09899000  0.14729800  0.00000000  1.0
  O  O14  1  0.09817000  0.65786200  0.00000000  1.0
  O  O15  1  0.26887500  0.59467800  0.50000000  1.0
  O  O16  1  0.39711200  0.90283100  0.50000000  1.0
  O  O17  1  0.43405800  0.15596600  0.00000000  1.0
  O  O18  1  0.43775600  0.64610200  0.00000000  1.0
  O  O19  1  0.60526500  0.09557000  0.50000000  1.0
  O  O20  1  0.72842200  0.40472700  0.50000000  1.0
  O  O21  1  0.73079500  0.90610100  0.50000000  1.0
  O  O22  1  0.77299400  0.15388800  0.00000000  1.0
  O  O23  1  0.76788200  0.65684000  0.00000000  1.0
  F  F24  1  0.06983000  0.90368300  0.50000000  1.0
  F  F25  1  0.23620000  0.34013000  0.00000000  1.0
  F  F26  1  0.22914300  0.85098800  0.00000000  1.0
  F  F27  1  0.26715700  0.09473400  0.50000000  1.0
  F  F28  1  0.40023200  0.40042100  0.50000000  1.0
  F  F29  1  0.56226300  0.35403300  0.00000000  1.0
  F  F30  1  0.56451000  0.84375200  0.00000000  1.0
  F  F31  1  0.60171000  0.60164600  0.50000000  1.0
  F  F32  1  0.89877200  0.35470700  0.00000000  1.0
  F  F33  1  0.90314200  0.85064500  0.00000000  1.0
  F  F34  1  0.93515900  0.10443800  0.50000000  1.0
  F  F35  1  0.93260900  0.59939000  0.50000000  1.0