# generated using pymatgen
data_Li4FeO3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28221800
_cell_length_b   5.35723801
_cell_length_c   7.82918234
_cell_angle_alpha   109.59256290
_cell_angle_beta   83.30448356
_cell_angle_gamma   113.25263317
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4FeO3F
_chemical_formula_sum   'Li8 Fe2 O6 F2'
_cell_volume   191.73752125
_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
  Li  Li0  1  0.76061800  0.12788700  0.92156900  1
  Li  Li1  1  0.25666200  0.57692800  0.91690300  1
  Li  Li2  1  0.21640500  0.46111000  0.71487800  1
  Li  Li3  1  0.74669900  0.75391400  0.50425000  1
  Li  Li4  1  0.23770900  0.26272700  0.50035200  1
  Li  Li5  1  0.78488400  0.53416000  0.27915300  1
  Li  Li6  1  0.74373800  0.43499000  0.08174600  1
  Li  Li7  1  0.26033100  0.87769400  0.05186200  1
  Fe  Fe8  1  0.78084500  0.85690300  0.73799300  1
  Fe  Fe9  1  0.23501500  0.11717800  0.28899700  1
  O  O10  1  0.97096900  0.94694200  0.87880600  1
  O  O11  1  0.50683500  0.40767800  0.89661100  1
  O  O12  1  0.00206000  0.72731600  0.69761700  1
  O  O13  1  0.34281700  0.67683500  0.49192500  1
  O  O14  1  0.99806300  0.27167200  0.30657200  1
  O  O15  1  0.48876100  0.57718800  0.11031000  1
  F  F16  1  0.65746800  0.33190300  0.49908800  1
  F  F17  1  0.01012100  0.05697800  0.12136600  1
