# generated using pymatgen
data_Fe4O7F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.54287530
_cell_length_b   5.54287530
_cell_length_c   8.94174260
_cell_angle_alpha   84.80813468
_cell_angle_beta   84.80813468
_cell_angle_gamma   71.08745362
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe4O7F
_chemical_formula_sum   'Fe8 O14 F2'
_cell_volume   258.27812095
_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  0.86269800  0.86269800  0.61284800  1.0
  Fe  Fe1  1  0.63041900  0.63041900  0.87731400  1.0
  Fe  Fe2  1  0.50000000  0.50000000  0.50000000  1.0
  Fe  Fe3  1  0.73363600  0.73363600  0.24516600  1.0
  Fe  Fe4  1  0.26636400  0.26636400  0.75483400  1.0
  Fe  Fe5  1  0.36958100  0.36958100  0.12268600  1.0
  Fe  Fe6  1  0.13730200  0.13730200  0.38715200  1.0
  Fe  Fe7  1  0.00000000  0.00000000  0.00000000  1.0
  O  O8  1  0.94820500  0.55963500  0.74995700  1.0
  O  O9  1  0.81282000  0.18718000  0.50000000  1.0
  O  O10  1  0.55963500  0.94820500  0.74995700  1.0
  O  O11  1  0.71149100  0.71149100  0.46691200  1.0
  O  O12  1  0.48398300  0.48398300  0.71487900  1.0
  O  O13  1  0.21858800  0.21858800  0.96960300  1.0
  O  O14  1  0.51601700  0.51601700  0.28512100  1.0
  O  O15  1  0.78141200  0.78141200  0.03039700  1.0
  O  O16  1  0.28850900  0.28850900  0.53308800  1.0
  O  O17  1  0.44036500  0.05179500  0.25004300  1.0
  O  O18  1  0.18718000  0.81282000  0.50000000  1.0
  O  O19  1  0.69253900  0.30746100  0.00000000  1.0
  O  O20  1  0.05179500  0.44036500  0.25004300  1.0
  O  O21  1  0.30746100  0.69253900  0.00000000  1.0
  F  F22  1  0.97260800  0.97260800  0.22662900  1.0
  F  F23  1  0.02739200  0.02739200  0.77337100  1.0