# generated using pymatgen
data_Fe3O5F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.54129900
_cell_length_b   5.55795712
_cell_length_c   7.20218407
_cell_angle_alpha   71.76666865
_cell_angle_beta   71.48429992
_cell_angle_gamma   72.58002284
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3O5F
_chemical_formula_sum   'Fe6 O10 F2'
_cell_volume   194.78371700
_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  0.31996100  0.33282700  0.17201800  1.0
  Fe  Fe1  1  0.65836800  0.66542200  0.33282900  1.0
  Fe  Fe2  1  0.34135600  0.35088100  0.66970900  1.0
  Fe  Fe3  1  0.66909800  0.68439700  0.82848500  1.0
  Fe  Fe4  1  0.98976000  0.99638200  0.48982900  1.0
  Fe  Fe5  1  0.02184500  0.97532400  0.00931700  1.0
  O  O6  1  0.34598500  0.97480400  0.33460400  1.0
  O  O7  1  0.02757800  0.64806000  0.66834100  1.0
  O  O8  1  0.76897400  0.76166200  0.04167000  1.0
  O  O9  1  0.43330800  0.44108200  0.37185800  1.0
  O  O10  1  0.23551200  0.22821400  0.95971500  1.0
  O  O11  1  0.57016200  0.58168500  0.62378500  1.0
  O  O12  1  0.88425100  0.88544000  0.29890300  1.0
  O  O13  1  0.64342300  0.04259400  0.66340000  1.0
  O  O14  1  0.96282000  0.35149500  0.33935400  1.0
  O  O15  1  0.31964200  0.68238200  0.99702400  1.0
  F  F16  1  0.10263200  0.10222400  0.70347700  1.0
  F  F17  1  0.70532500  0.29512700  0.99568000  1.0