# generated using pymatgen
data_Fe2O3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.69751888
_cell_length_b   4.69751888
_cell_length_c   12.04345300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   94.12842091
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2O3F
_chemical_formula_sum   'Fe8 O12 F4'
_cell_volume   265.06947437
_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  0.00000000  0.00000000  0.00000000  1.0
  Fe  Fe1  1  0.98803600  0.01196400  0.25000000  1.0
  Fe  Fe2  1  0.00000000  0.00000000  0.50000000  1.0
  Fe  Fe3  1  0.01196400  0.98803600  0.75000000  1.0
  Fe  Fe4  1  0.47207900  0.52792100  0.62501500  1.0
  Fe  Fe5  1  0.52792100  0.47207900  0.12501500  1.0
  Fe  Fe6  1  0.47207900  0.52792100  0.87498500  1.0
  Fe  Fe7  1  0.52792100  0.47207900  0.37498500  1.0
  O  O8  1  0.18078400  0.81921600  0.62153400  1.0
  O  O9  1  0.18078400  0.81921600  0.87846600  1.0
  O  O10  1  0.31766000  0.29608100  0.25000000  1.0
  O  O11  1  0.30764500  0.30764500  0.50000000  1.0
  O  O12  1  0.30764500  0.30764500  0.00000000  1.0
  O  O13  1  0.29608100  0.31766000  0.75000000  1.0
  O  O14  1  0.69235500  0.69235500  0.50000000  1.0
  O  O15  1  0.68234000  0.70391900  0.75000000  1.0
  O  O16  1  0.69235500  0.69235500  0.00000000  1.0
  O  O17  1  0.70391900  0.68234000  0.25000000  1.0
  O  O18  1  0.81921600  0.18078400  0.12153400  1.0
  O  O19  1  0.81921600  0.18078400  0.37846600  1.0
  F  F20  1  0.20110000  0.79890000  0.12663000  1.0
  F  F21  1  0.20110000  0.79890000  0.37337000  1.0
  F  F22  1  0.79890000  0.20110000  0.62663000  1.0
  F  F23  1  0.79890000  0.20110000  0.87337000  1.0