# generated using pymatgen
data_Fe2O3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.69720103
_cell_length_b   4.69720103
_cell_length_c   12.04422300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   94.18350637
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2O3F
_chemical_formula_sum   'Fe8 O12 F4'
_cell_volume   265.03203418
_cell_formula_units_Z   4
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  0.99808500  0.00191500  0.62538600  1.0
  Fe  Fe1  1  0.99808500  0.00191500  0.37461400  1.0
  Fe  Fe2  1  0.98412000  0.01588000  0.12464700  1.0
  Fe  Fe3  1  0.98412000  0.01588000  0.87535300  1.0
  Fe  Fe4  1  0.52059700  0.47940300  0.00000000  1.0
  Fe  Fe5  1  0.46549600  0.53450400  0.50000000  1.0
  Fe  Fe6  1  0.52552900  0.47447100  0.74979800  1.0
  Fe  Fe7  1  0.52552900  0.47447100  0.25020200  1.0
  O  O8  1  0.81005200  0.18994800  0.00000000  1.0
  O  O9  1  0.81514200  0.18485800  0.74636100  1.0
  O  O10  1  0.81514200  0.18485800  0.25363900  1.0
  O  O11  1  0.30279100  0.31094900  0.37438000  1.0
  O  O12  1  0.31225300  0.30319600  0.12483700  1.0
  O  O13  1  0.30279100  0.31094900  0.62562000  1.0
  O  O14  1  0.31225300  0.30319600  0.87516300  1.0
  O  O15  1  0.69680400  0.68774700  0.12483700  1.0
  O  O16  1  0.69680400  0.68774700  0.87516300  1.0
  O  O17  1  0.68905100  0.69720900  0.62562000  1.0
  O  O18  1  0.68905100  0.69720900  0.37438000  1.0
  O  O19  1  0.17475600  0.82524400  0.50000000  1.0
  F  F20  1  0.79623600  0.20376400  0.50000000  1.0
  F  F21  1  0.19604700  0.80395300  0.24714700  1.0
  F  F22  1  0.19321500  0.80678500  0.00000000  1.0
  F  F23  1  0.19604700  0.80395300  0.75285300  1.0