# generated using pymatgen
data_FeOF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.09707500
_cell_length_b   9.52444900
_cell_length_c   14.22877448
_cell_angle_alpha   89.38883582
_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   419.69555668
_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  0.99057900  0.99166900  1.0
  Fe  Fe1  1  0.00000000  0.50344500  0.99567300  1.0
  Fe  Fe2  1  0.50000000  0.24595200  0.80836700  1.0
  Fe  Fe3  1  0.50000000  0.74522700  0.84403700  1.0
  Fe  Fe4  1  0.00000000  0.00525100  0.65798100  1.0
  Fe  Fe5  1  0.00000000  0.48437500  0.66190600  1.0
  Fe  Fe6  1  0.50000000  0.77962800  0.50012100  1.0
  Fe  Fe7  1  0.50000000  0.24893900  0.51187500  1.0
  Fe  Fe8  1  0.00000000  0.99123600  0.32908800  1.0
  Fe  Fe9  1  0.00000000  0.49681800  0.32388100  1.0
  Fe  Fe10  1  0.50000000  0.24660600  0.18679900  1.0
  Fe  Fe11  1  0.50000000  0.75038300  0.18800300  1.0
  O  O12  1  0.50000000  0.90302200  0.93444400  1.0
  O  O13  1  0.00000000  0.64489200  0.90216000  1.0
  O  O14  1  0.00000000  0.35653000  0.77194800  1.0
  O  O15  1  0.50000000  0.08827800  0.73318700  1.0
  O  O16  1  0.50000000  0.40848400  0.59948700  1.0
  O  O17  1  0.50000000  0.89867800  0.60631300  1.0
  O  O18  1  0.00000000  0.15592100  0.56102000  1.0
  O  O19  1  0.00000000  0.85079300  0.43196200  1.0
  O  O20  1  0.50000000  0.40545700  0.26769300  1.0
  O  O21  1  0.50000000  0.90830500  0.26619800  1.0
  O  O22  1  0.00000000  0.15172300  0.23206500  1.0
  O  O23  1  0.00000000  0.64973100  0.22995900  1.0
  F  F24  1  0.50000000  0.39836900  0.94120800  1.0
  F  F25  1  0.00000000  0.15964400  0.90364500  1.0
  F  F26  1  0.00000000  0.83652300  0.77329500  1.0
  F  F27  1  0.50000000  0.60541000  0.73194900  1.0
  F  F28  1  0.00000000  0.65214500  0.56456200  1.0
  F  F29  1  0.00000000  0.35082500  0.43199500  1.0
  F  F30  1  0.50000000  0.10679800  0.39660500  1.0
  F  F31  1  0.50000000  0.59366600  0.39880100  1.0
  F  F32  1  0.00000000  0.35090000  0.09630900  1.0
  F  F33  1  0.00000000  0.84493800  0.09928700  1.0
  F  F34  1  0.50000000  0.09645000  0.06184100  1.0
  F  F35  1  0.50000000  0.59407700  0.06466600  1.0