# generated using pymatgen
data_Fe2O3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.68685501
_cell_length_b   9.40899204
_cell_length_c   2.99982100
_cell_angle_alpha   90.00019293
_cell_angle_beta   90.00001223
_cell_angle_gamma   89.99156703
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2O3F
_chemical_formula_sum   'Fe4 O6 F2'
_cell_volume   132.28784930
_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  0.96656200  0.99549400  0.99999900  1.0
  Fe  Fe1  1  0.03416400  0.49028200  0.00000700  1.0
  Fe  Fe2  1  0.53419800  0.25971200  0.50001400  1.0
  Fe  Fe3  1  0.46605900  0.75444400  0.49998500  1.0
  O  O4  1  0.21657800  0.39790700  0.50000900  1.0
  O  O5  1  0.16168500  0.90370700  0.49999300  1.0
  O  O6  1  0.30717400  0.65139300  0.99998600  1.0
  O  O7  1  0.66099200  0.84651500  0.99998800  1.0
  O  O8  1  0.71625600  0.35190500  0.00001500  1.0
  O  O9  1  0.80915900  0.09911000  0.50000400  1.0
  F  F10  1  0.31432200  0.15224500  0.00000800  1.0
  F  F11  1  0.81285200  0.59728500  0.49999100  1.0