# generated using pymatgen
data_Fe2O3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.65033200
_cell_length_b   5.55117900
_cell_length_c   10.23625611
_cell_angle_alpha   84.54984033
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2O3F
_chemical_formula_sum   'Fe8 O12 F4'
_cell_volume   263.05255393
_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  0.50000000  0.50000000  0.50000000  1.0
  Fe  Fe1  1  0.50000000  0.00000000  0.00000000  1.0
  Fe  Fe2  1  0.52080800  0.74303300  0.76030000  1.0
  Fe  Fe3  1  0.47919200  0.25696700  0.23970000  1.0
  Fe  Fe4  1  0.00000000  0.50000000  0.00000000  1.0
  Fe  Fe5  1  0.97919200  0.74303300  0.26030000  1.0
  Fe  Fe6  1  0.00000000  0.00000000  0.50000000  1.0
  Fe  Fe7  1  0.02080800  0.25696700  0.73970000  1.0
  O  O8  1  0.80727600  0.47968000  0.17234000  1.0
  O  O9  1  0.79777200  0.73241000  0.43291300  1.0
  O  O10  1  0.81374900  0.98386300  0.66802800  1.0
  O  O11  1  0.70222800  0.73241000  0.93291300  1.0
  O  O12  1  0.68625100  0.98386300  0.16802800  1.0
  O  O13  1  0.69272400  0.47968000  0.67234000  1.0
  O  O14  1  0.31374900  0.01613700  0.83197200  1.0
  O  O15  1  0.30727600  0.52032000  0.32766000  1.0
  O  O16  1  0.29777200  0.26759000  0.06708700  1.0
  O  O17  1  0.20222800  0.26759000  0.56708700  1.0
  O  O18  1  0.19272400  0.52032000  0.82766000  1.0
  O  O19  1  0.18625100  0.01613700  0.33197200  1.0
  F  F20  1  0.80442800  0.22805400  0.91802900  1.0
  F  F21  1  0.69557200  0.22805400  0.41802900  1.0
  F  F22  1  0.30442800  0.77194600  0.58197100  1.0
  F  F23  1  0.19557200  0.77194600  0.08197100  1.0