# generated using pymatgen
data_Fe2O3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.58597388
_cell_length_b   5.58597388
_cell_length_c   4.69974869
_cell_angle_alpha   86.87530886
_cell_angle_beta   86.87530886
_cell_angle_gamma   65.44180500
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2O3F
_chemical_formula_sum   'Fe4 O6 F2'
_cell_volume   133.10077630
_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  0.00000000  0.00000000  0.50000000  1.0
  Fe  Fe1  1  0.50000000  0.50000000  0.50000000  1.0
  Fe  Fe2  1  0.50000000  0.00000000  0.00000000  1.0
  Fe  Fe3  1  0.00000000  0.50000000  0.00000000  1.0
  O  O4  1  0.16211200  0.16211200  0.81900400  1.0
  O  O5  1  0.15357000  0.65229700  0.69501500  1.0
  O  O6  1  0.65229700  0.15357000  0.69501500  1.0
  O  O7  1  0.84643000  0.34770300  0.30498500  1.0
  O  O8  1  0.34770300  0.84643000  0.30498500  1.0
  O  O9  1  0.83788800  0.83788800  0.18099600  1.0
  F  F10  1  0.64801300  0.64801300  0.79982900  1.0
  F  F11  1  0.35198700  0.35198700  0.20017100  1.0