# generated using pymatgen
data_Fe3O5F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.00245100
_cell_length_b   4.66287900
_cell_length_c   13.97035239
_cell_angle_alpha   87.45973286
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3O5F
_chemical_formula_sum   'Fe6 O10 F2'
_cell_volume   195.39365318
_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  0.00000000  0.00000000  0.00000000  1.0
  Fe  Fe1  1  0.00000000  0.02190200  0.34065300  1.0
  Fe  Fe2  1  0.00000000  0.97809800  0.65934700  1.0
  Fe  Fe3  1  0.50000000  0.48165200  0.16068800  1.0
  Fe  Fe4  1  0.50000000  0.50000000  0.50000000  1.0
  Fe  Fe5  1  0.50000000  0.51834800  0.83931200  1.0
  O  O6  1  0.50000000  0.79624500  0.60324200  1.0
  O  O7  1  0.50000000  0.82065800  0.93785900  1.0
  O  O8  1  0.00000000  0.68015600  0.10156600  1.0
  O  O9  1  0.00000000  0.69667000  0.77081500  1.0
  O  O10  1  0.00000000  0.69890700  0.43533900  1.0
  O  O11  1  0.00000000  0.30333000  0.22918500  1.0
  O  O12  1  0.00000000  0.30109300  0.56466100  1.0
  O  O13  1  0.00000000  0.31984400  0.89843400  1.0
  O  O14  1  0.50000000  0.17934200  0.06214100  1.0
  O  O15  1  0.50000000  0.20375500  0.39675800  1.0
  F  F16  1  0.50000000  0.80858500  0.26665600  1.0
  F  F17  1  0.50000000  0.19141500  0.73334400  1.0