# generated using pymatgen
data_Fe2O3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.70985820
_cell_length_b   4.70985820
_cell_length_c   3.01467600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   94.29239028
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2O3F
_chemical_formula_sum   'Fe2 O3 F1'
_cell_volume   66.68627155
_cell_formula_units_Z   1
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  0.98200400  0.01799600  0.00000000  1.0
  Fe  Fe1  1  0.51943900  0.48056100  0.50000000  1.0
  O  O2  1  0.80758200  0.19241800  0.50000000  1.0
  O  O3  1  0.30772200  0.30710100  0.00000000  1.0
  O  O4  1  0.69289900  0.69227800  0.00000000  1.0
  F  F5  1  0.19035300  0.80964700  0.50000000  1.0