# generated using pymatgen
data_Fe3(O2F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.05320300
_cell_length_b   4.71034300
_cell_length_c   14.02858700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3(O2F)2
_chemical_formula_sum   'Fe6 O8 F4'
_cell_volume   201.75399505
_cell_formula_units_Z   2
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  0.50000000  0.93409000  0.67563900  1.0
  Fe  Fe1  1  0.50000000  0.00000000  0.00000000  1.0
  Fe  Fe2  1  0.50000000  0.06591000  0.32436100  1.0
  Fe  Fe3  1  0.00000000  0.43409000  0.82436100  1.0
  Fe  Fe4  1  0.00000000  0.56591000  0.17563900  1.0
  Fe  Fe5  1  0.00000000  0.50000000  0.50000000  1.0
  O  O6  1  0.00000000  0.16796800  0.93390600  1.0
  O  O7  1  0.00000000  0.24705000  0.26590200  1.0
  O  O8  1  0.50000000  0.25295000  0.76590200  1.0
  O  O9  1  0.50000000  0.33203200  0.43390600  1.0
  O  O10  1  0.50000000  0.74705000  0.23409800  1.0
  O  O11  1  0.50000000  0.66796800  0.56609400  1.0
  O  O12  1  0.00000000  0.75295000  0.73409800  1.0
  O  O13  1  0.00000000  0.83203200  0.06609400  1.0
  F  F14  1  0.00000000  0.15650900  0.60081500  1.0
  F  F15  1  0.50000000  0.34349100  0.10081500  1.0
  F  F16  1  0.50000000  0.65650900  0.89918500  1.0
  F  F17  1  0.00000000  0.84349100  0.39918500  1.0