# generated using pymatgen
data_Fe2O3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.01180600
_cell_length_b   4.74961600
_cell_length_c   9.90007800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2O3F
_chemical_formula_sum   'Fe4 O6 F2'
_cell_volume   141.61984325
_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  0.22437800  0.85661900  1.0
  Fe  Fe1  1  0.00000000  0.77562200  0.35661900  1.0
  Fe  Fe2  1  0.50000000  0.72052100  0.64258400  1.0
  Fe  Fe3  1  0.50000000  0.27947900  0.14258400  1.0
  O  O4  1  0.00000000  0.93420300  0.71523800  1.0
  O  O5  1  0.00000000  0.57621600  0.53719700  1.0
  O  O6  1  0.00000000  0.06579700  0.21523800  1.0
  O  O7  1  0.00000000  0.42378400  0.03719700  1.0
  O  O8  1  0.50000000  0.42643800  0.78182700  1.0
  O  O9  1  0.50000000  0.57356200  0.28182700  1.0
  F  F10  1  0.50000000  0.00023800  0.95462100  1.0
  F  F11  1  0.50000000  0.99976200  0.45462100  1.0