# generated using pymatgen
data_FeOF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.42246204
_cell_length_b   14.13198529
_cell_length_c   3.03556200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.67048496
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeOF
_chemical_formula_sum   'Fe12 O12 F12'
_cell_volume   404.18197703
_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  0.01139300  0.00181900  0.00000000  1.0
  Fe  Fe1  1  0.99133600  0.34397600  0.00000000  1.0
  Fe  Fe2  1  0.02221900  0.65799900  0.00000000  1.0
  Fe  Fe3  1  0.21042000  0.17906800  0.50000000  1.0
  Fe  Fe4  1  0.23168800  0.49338400  0.50000000  1.0
  Fe  Fe5  1  0.29575000  0.82697800  0.50000000  1.0
  Fe  Fe6  1  0.51743400  0.33142700  0.00000000  1.0
  Fe  Fe7  1  0.49231900  0.00497400  0.00000000  1.0
  Fe  Fe8  1  0.51705600  0.66294900  0.00000000  1.0
  Fe  Fe9  1  0.72484700  0.16307500  0.50000000  1.0
  Fe  Fe10  1  0.73698500  0.49346000  0.50000000  1.0
  Fe  Fe11  1  0.73958200  0.82095000  0.50000000  1.0
  O  O12  1  0.07800200  0.27875600  0.50000000  1.0
  O  O13  1  0.10934600  0.60470200  0.50000000  1.0
  O  O14  1  0.14151900  0.10775700  0.00000000  1.0
  O  O15  1  0.13859500  0.43313300  0.00000000  1.0
  O  O16  1  0.36103900  0.89803600  0.00000000  1.0
  O  O17  1  0.42199700  0.72400500  0.50000000  1.0
  O  O18  1  0.59205800  0.26812800  0.50000000  1.0
  O  O19  1  0.60110900  0.60087600  0.50000000  1.0
  O  O20  1  0.64636400  0.09845300  0.00000000  1.0
  O  O21  1  0.65220100  0.43767900  0.00000000  1.0
  O  O22  1  0.65598000  0.75830000  0.00000000  1.0
  O  O23  1  0.89852600  0.40001700  0.50000000  1.0
  F  F24  1  0.10128000  0.92883500  0.50000000  1.0
  F  F25  1  0.16251200  0.76924600  0.00000000  1.0
  F  F26  1  0.33622900  0.24123200  0.00000000  1.0
  F  F27  1  0.35898700  0.56214400  0.00000000  1.0
  F  F28  1  0.38987900  0.07478000  0.50000000  1.0
  F  F29  1  0.39730200  0.40005500  0.50000000  1.0
  F  F30  1  0.60706900  0.93306400  0.50000000  1.0
  F  F31  1  0.84662100  0.23351600  0.00000000  1.0
  F  F32  1  0.85166400  0.89730700  0.00000000  1.0
  F  F33  1  0.85059100  0.57121200  0.00000000  1.0
  F  F34  1  0.89542600  0.06207500  0.50000000  1.0
  F  F35  1  0.91467600  0.73663400  0.50000000  1.0