# generated using pymatgen
data_Fe4O5F3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.69484862
_cell_length_b   5.69484862
_cell_length_c   4.80803425
_cell_angle_alpha   84.31772375
_cell_angle_beta   84.31772375
_cell_angle_gamma   63.83331984
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe4O5F3
_chemical_formula_sum   'Fe4 O5 F3'
_cell_volume   138.99485578
_cell_formula_units_Z   1
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  0.02094100  0.02094100  0.54404000  1.0
  Fe  Fe1  1  0.49660600  0.49660600  0.49396500  1.0
  Fe  Fe2  1  0.48898300  0.00029700  0.98949100  1.0
  Fe  Fe3  1  0.00029700  0.48898300  0.98949100  1.0
  O  O4  1  0.15559100  0.15559100  0.81912800  1.0
  O  O5  1  0.16263000  0.64658300  0.69499600  1.0
  O  O6  1  0.64658300  0.16263000  0.69499600  1.0
  O  O7  1  0.83643900  0.35624500  0.30629900  1.0
  O  O8  1  0.35624500  0.83643900  0.30629900  1.0
  F  F9  1  0.65458900  0.65458900  0.79824400  1.0
  F  F10  1  0.34202500  0.34202500  0.19900100  1.0
  F  F11  1  0.83906900  0.83906900  0.16405300  1.0