# generated using pymatgen
data_Fe2O3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.65740100
_cell_length_b   5.53865802
_cell_length_c   12.99020629
_cell_angle_alpha   101.56037265
_cell_angle_beta   90.38409904
_cell_angle_gamma   90.75982011
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2O3F
_chemical_formula_sum   'Fe10 O15 F5'
_cell_volume   328.25062652
_cell_formula_units_Z   5
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  0.52456200  0.50764200  0.00856600  1.0
  Fe  Fe1  1  0.47162600  0.89421600  0.59233400  1.0
  Fe  Fe2  1  0.50085200  0.69831500  0.79956400  1.0
  Fe  Fe3  1  0.51531600  0.08810000  0.39520200  1.0
  Fe  Fe4  1  0.50214000  0.29999000  0.20109000  1.0
  Fe  Fe5  1  0.98269500  0.40380400  0.60682900  1.0
  Fe  Fe6  1  0.01289000  0.80012200  0.19855800  1.0
  Fe  Fe7  1  0.99941400  0.19992700  0.80018200  1.0
  Fe  Fe8  1  0.96398000  0.61811400  0.40727500  1.0
  Fe  Fe9  1  0.02253600  0.99236100  0.99151400  1.0
  O  O10  1  0.79780300  0.45324100  0.74605700  1.0
  O  O11  1  0.81401600  0.85506600  0.33223600  1.0
  O  O12  1  0.81504200  0.25002500  0.93430000  1.0
  O  O13  1  0.79689100  0.65258900  0.54419800  1.0
  O  O14  1  0.69518800  0.75458600  0.93798200  1.0
  O  O15  1  0.68899600  0.15137000  0.53518200  1.0
  O  O16  1  0.68854700  0.35449000  0.33835700  1.0
  O  O17  1  0.70752100  0.55554700  0.14588700  1.0
  O  O18  1  0.30225400  0.64444100  0.66218800  1.0
  O  O19  1  0.31149500  0.04290400  0.25868400  1.0
  O  O20  1  0.31442400  0.24891500  0.06557700  1.0
  O  O21  1  0.29660300  0.84465400  0.45394100  1.0
  O  O22  1  0.20262300  0.94541200  0.85310400  1.0
  O  O23  1  0.19637300  0.74918800  0.06268500  1.0
  O  O24  1  0.18559800  0.14987000  0.66546900  1.0
  F  F25  1  0.81029300  0.05895000  0.13611900  1.0
  F  F26  1  0.69024500  0.95660200  0.73475200  1.0
  F  F27  1  0.30724400  0.44431800  0.86641500  1.0
  F  F28  1  0.18816300  0.34682200  0.46073500  1.0
  F  F29  1  0.19467000  0.53841900  0.26501800  1.0