# generated using pymatgen
data_LiFeSO4F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23121273
_cell_length_b   5.58728784
_cell_length_c   7.38361822
_cell_angle_alpha   107.13854279
_cell_angle_beta   107.01804969
_cell_angle_gamma   96.90002798
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeSO4F
_chemical_formula_sum   'Li2 Fe2 S2 O8 F2'
_cell_volume   192.10153259
_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  0.73167100  0.37422700  0.20852600  1
  Li  Li1  1  0.24903100  0.60276400  0.71168300  1
  Fe  Fe2  1  0.00340000  0.99779400  0.99786400  1
  Fe  Fe3  1  0.99576700  0.99826000  0.49632700  1
  S  S4  1  0.67344000  0.37220100  0.75271200  1
  S  S5  1  0.32721500  0.63044400  0.24994300  1
  O  O6  1  0.88692600  0.34843300  0.65457500  1
  O  O7  1  0.11523500  0.64302600  0.35196100  1
  O  O8  1  0.72846400  0.24742400  0.90835700  1
  O  O9  1  0.26970500  0.76488100  0.10266000  1
  O  O10  1  0.67512900  0.64909900  0.84729600  1
  O  O11  1  0.32220900  0.35458500  0.14601700  1
  O  O12  1  0.39433100  0.25625900  0.59897700  1
  O  O13  1  0.60591300  0.74191700  0.40351100  1
  F  F14  1  0.87949600  0.08815600  0.24173300  1
  F  F15  1  0.12006500  0.90953300  0.75185800  1
