# generated using pymatgen
data_LiFe3(OF3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.85036400
_cell_length_b   8.58545100
_cell_length_c   9.62995400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe3(OF3)2
_chemical_formula_sum   'Li2 Fe6 O4 F12'
_cell_volume   318.33846268
_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  0.00000000  0.76523800  0.41764500  1
  Li  Li1  1  0.50000000  0.26523800  0.58235500  1
  Fe  Fe2  1  0.00000000  0.55784100  0.76161200  1
  Fe  Fe3  1  0.50000000  0.73078200  0.94763800  1
  Fe  Fe4  1  0.00000000  0.93290500  0.74465600  1
  Fe  Fe5  1  0.50000000  0.05784100  0.23838800  1
  Fe  Fe6  1  0.00000000  0.23078200  0.05236200  1
  Fe  Fe7  1  0.50000000  0.43290500  0.25534400  1
  O  O8  1  0.50000000  0.58344800  0.79287100  1
  O  O9  1  0.00000000  0.76180800  0.89133100  1
  O  O10  1  0.00000000  0.08344800  0.20712900  1
  O  O11  1  0.50000000  0.26180800  0.10866900  1
  F  F12  1  0.50000000  0.58395700  0.39539200  1
  F  F13  1  0.50000000  0.59837500  0.10991200  1
  F  F14  1  0.00000000  0.75145800  0.61495100  1
  F  F15  1  0.50000000  0.91116400  0.07213700  1
  F  F16  1  0.50000000  0.92712300  0.76470100  1
  F  F17  1  0.50000000  0.89568100  0.37437600  1
  F  F18  1  0.00000000  0.08395700  0.60460800  1
  F  F19  1  0.00000000  0.09837500  0.89008800  1
  F  F20  1  0.50000000  0.25145800  0.38504900  1
  F  F21  1  0.00000000  0.41116400  0.92786300  1
  F  F22  1  0.00000000  0.42712300  0.23529900  1
  F  F23  1  0.00000000  0.39568100  0.62562400  1
