# generated using pymatgen
data_Fe3O5F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.63893766
_cell_length_b   4.63893766
_cell_length_c   9.01166188
_cell_angle_alpha   89.30919701
_cell_angle_beta   89.30919701
_cell_angle_gamma   87.33839650
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3O5F
_chemical_formula_sum   'Fe6 O10 F2'
_cell_volume   193.69252695
_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  0.99578900  0.99578900  0.65837700  1.0
  Fe  Fe1  1  0.00421100  0.00421100  0.34162300  1.0
  Fe  Fe2  1  0.00000000  0.00000000  0.00000000  1.0
  Fe  Fe3  1  0.50000000  0.50000000  0.50000000  1.0
  Fe  Fe4  1  0.52593400  0.52593400  0.83269000  1.0
  Fe  Fe5  1  0.47406600  0.47406600  0.16731000  1.0
  O  O6  1  0.80628400  0.80628400  0.49572400  1.0
  O  O7  1  0.82141800  0.82141800  0.83097400  1.0
  O  O8  1  0.31468700  0.69970300  0.66664000  1.0
  O  O9  1  0.30029700  0.68531300  0.33336000  1.0
  O  O10  1  0.30516600  0.69483400  0.00000000  1.0
  O  O11  1  0.69970300  0.31468700  0.66664000  1.0
  O  O12  1  0.68531300  0.30029700  0.33336000  1.0
  O  O13  1  0.69483400  0.30516600  0.00000000  1.0
  O  O14  1  0.19371600  0.19371600  0.50427600  1.0
  O  O15  1  0.17858200  0.17858200  0.16902600  1.0
  F  F16  1  0.79451700  0.79451700  0.16782400  1.0
  F  F17  1  0.20548300  0.20548300  0.83217600  1.0