# generated using pymatgen
data_Fe2O3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.58877163
_cell_length_b   5.58877163
_cell_length_c   5.58877163
_cell_angle_alpha   114.79177055
_cell_angle_beta   110.12147158
_cell_angle_gamma   103.68989007
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2O3F
_chemical_formula_sum   'Fe4 O6 F2'
_cell_volume   133.11808870
_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  0.46536100  0.71536100  0.75000000  1.0
  Fe  Fe1  1  0.53463900  0.28463900  0.25000000  1.0
  Fe  Fe2  1  0.00000000  0.50000000  0.00000000  1.0
  Fe  Fe3  1  0.00000000  0.00000000  0.50000000  1.0
  O  O4  1  0.17827200  0.42827200  0.75000000  1.0
  O  O5  1  0.69311000  0.50000000  0.69311000  1.0
  O  O6  1  0.69311000  0.00000000  0.19311000  1.0
  O  O7  1  0.30689000  0.50000000  0.30689000  1.0
  O  O8  1  0.30689000  0.00000000  0.80689000  1.0
  O  O9  1  0.82172800  0.57172800  0.25000000  1.0
  F  F10  1  0.20248900  0.95248900  0.25000000  1.0
  F  F11  1  0.79751100  0.04751100  0.75000000  1.0