# generated using pymatgen
data_Fe2O3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.69532801
_cell_length_b   4.69532801
_cell_length_c   9.00497600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   94.17020398
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2O3F
_chemical_formula_sum   'Fe6 O9 F3'
_cell_volume   197.99903953
_cell_formula_units_Z   3
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  0.99696100  0.00303900  0.66737200  1.0
  Fe  Fe1  1  0.99696100  0.00303900  0.33262800  1.0
  Fe  Fe2  1  0.98774900  0.01225100  0.00000000  1.0
  Fe  Fe3  1  0.52740800  0.47259200  0.83317900  1.0
  Fe  Fe4  1  0.46353200  0.53646800  0.50000000  1.0
  Fe  Fe5  1  0.52740800  0.47259200  0.16682100  1.0
  O  O6  1  0.81676000  0.18324000  0.82892300  1.0
  O  O7  1  0.81676000  0.18324000  0.17107700  1.0
  O  O8  1  0.31876400  0.29668100  0.00000000  1.0
  O  O9  1  0.30189000  0.31222000  0.66713000  1.0
  O  O10  1  0.30189000  0.31222000  0.33287000  1.0
  O  O11  1  0.70331900  0.68123600  0.00000000  1.0
  O  O12  1  0.68778000  0.69811000  0.66713000  1.0
  O  O13  1  0.68778000  0.69811000  0.33287000  1.0
  O  O14  1  0.17413000  0.82587000  0.50000000  1.0
  F  F15  1  0.79451000  0.20549000  0.50000000  1.0
  F  F16  1  0.19820000  0.80180000  0.16447000  1.0
  F  F17  1  0.19820000  0.80180000  0.83553000  1.0