# generated using pymatgen
data_LiFe2OF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.94254857
_cell_length_b   5.94254857
_cell_length_c   6.08717386
_cell_angle_alpha   63.45742444
_cell_angle_beta   63.45742444
_cell_angle_gamma   64.72469979
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2OF3
_chemical_formula_sum   'Li2 Fe4 O2 F6'
_cell_volume   164.95356126
_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  0.50000000  0.50000000  0.00000000  1
  Li  Li1  1  0.50000000  0.50000000  0.50000000  1
  Fe  Fe2  1  0.89415900  0.89415900  0.44108500  1
  Fe  Fe3  1  0.00000000  0.50000000  0.00000000  1
  Fe  Fe4  1  0.10584100  0.10584100  0.55891500  1
  Fe  Fe5  1  0.50000000  0.00000000  0.00000000  1
  O  O6  1  0.74432500  0.74432500  0.80545800  1
  O  O7  1  0.25567500  0.25567500  0.19454200  1
  F  F8  1  0.27859100  0.73235200  0.74283900  1
  F  F9  1  0.75171100  0.75171100  0.26165600  1
  F  F10  1  0.73235200  0.27859100  0.74283900  1
  F  F11  1  0.26764800  0.72140900  0.25716100  1
  F  F12  1  0.72140900  0.26764800  0.25716100  1
  F  F13  1  0.24828900  0.24828900  0.73834400  1
