# generated using pymatgen
data_Fe2O3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.73208487
_cell_length_b   18.80903029
_cell_length_c   3.00681600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   91.92792248
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2O3F
_chemical_formula_sum   'Fe8 O12 F4'
_cell_volume   267.47295576
_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  0.99062100  0.74369600  0.00000000  1.0
  Fe  Fe1  1  0.95676100  0.99842500  0.00000000  1.0
  Fe  Fe2  1  0.06653500  0.24527700  0.00000000  1.0
  Fe  Fe3  1  0.02252600  0.49595800  0.00000000  1.0
  Fe  Fe4  1  0.54437400  0.13128600  0.50000000  1.0
  Fe  Fe5  1  0.43895600  0.87969100  0.50000000  1.0
  Fe  Fe6  1  0.50234800  0.37906600  0.50000000  1.0
  Fe  Fe7  1  0.47469100  0.62914300  0.50000000  1.0
  O  O8  1  0.24393500  0.19766400  0.50000000  1.0
  O  O9  1  0.20564700  0.45003000  0.50000000  1.0
  O  O10  1  0.17994000  0.70180900  0.50000000  1.0
  O  O11  1  0.13668300  0.95343200  0.50000000  1.0
  O  O12  1  0.30438700  0.57644900  0.00000000  1.0
  O  O13  1  0.27585500  0.82788000  0.00000000  1.0
  O  O14  1  0.33913200  0.32481700  0.00000000  1.0
  O  O15  1  0.70788600  0.42289800  0.00000000  1.0
  O  O16  1  0.63383100  0.92455800  0.00000000  1.0
  O  O17  1  0.73444700  0.17406900  0.00000000  1.0
  O  O18  1  0.68153600  0.67368500  0.00000000  1.0
  O  O19  1  0.80457300  0.05081900  0.50000000  1.0
  F  F20  1  0.31763400  0.07592300  0.00000000  1.0
  F  F21  1  0.78025200  0.79907800  0.50000000  1.0
  F  F22  1  0.85060300  0.29595800  0.50000000  1.0
  F  F23  1  0.80684800  0.54838700  0.50000000  1.0