# generated using pymatgen
data_Fe2O3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55437442
_cell_length_b   5.55437442
_cell_length_c   7.08091118
_cell_angle_alpha   72.81673460
_cell_angle_beta   72.81673460
_cell_angle_gamma   76.17912564
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2O3F
_chemical_formula_sum   'Fe6 O9 F3'
_cell_volume   196.61752735
_cell_formula_units_Z   3
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  0.66693300  0.66441400  0.83384900  1.0
  Fe  Fe1  1  0.64052500  0.69326500  0.33174700  1.0
  Fe  Fe2  1  0.30673500  0.35947500  0.66825300  1.0
  Fe  Fe3  1  0.33558600  0.33306700  0.16615100  1.0
  Fe  Fe4  1  0.01557000  0.98443000  0.50000000  1.0
  Fe  Fe5  1  0.03438500  0.96561500  0.00000000  1.0
  O  O6  1  0.90400300  0.89096100  0.29503800  1.0
  O  O7  1  0.23420400  0.22590800  0.96024200  1.0
  O  O8  1  0.55377900  0.57403900  0.62663700  1.0
  O  O9  1  0.10903900  0.09599700  0.70496200  1.0
  O  O10  1  0.77409200  0.76579600  0.03975800  1.0
  O  O11  1  0.42596100  0.44622100  0.37336300  1.0
  O  O12  1  0.00897100  0.64438100  0.67399700  1.0
  O  O13  1  0.35561900  0.99102900  0.32600300  1.0
  O  O14  1  0.32610200  0.67389800  0.00000000  1.0
  F  F15  1  0.96374000  0.36007400  0.33725100  1.0
  F  F16  1  0.63992600  0.03626000  0.66274900  1.0
  F  F17  1  0.70483200  0.29516800  0.00000000  1.0