# generated using pymatgen
data_LiFe2OF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.22435100
_cell_length_b   6.22937800
_cell_length_c   8.84264900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2OF3
_chemical_formula_sum   'Li4 Fe8 O4 F12'
_cell_volume   342.86341491
_cell_formula_units_Z   4
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  0.75000000  0.46797200  0.60791700  1
  Li  Li1  1  0.25000000  0.53202800  0.39208300  1
  Li  Li2  1  0.25000000  0.03202800  0.10791700  1
  Li  Li3  1  0.75000000  0.96797200  0.89208300  1
  Fe  Fe4  1  0.00000000  0.00000000  0.50000000  1
  Fe  Fe5  1  0.50000000  0.00000000  0.50000000  1
  Fe  Fe6  1  0.75000000  0.74856800  0.23901600  1
  Fe  Fe7  1  0.75000000  0.24856800  0.26098400  1
  Fe  Fe8  1  0.00000000  0.50000000  0.00000000  1
  Fe  Fe9  1  0.50000000  0.50000000  0.00000000  1
  Fe  Fe10  1  0.25000000  0.25143200  0.76098400  1
  Fe  Fe11  1  0.25000000  0.75143200  0.73901600  1
  O  O12  1  0.75000000  0.19811100  0.48182500  1
  O  O13  1  0.25000000  0.80188900  0.51817500  1
  O  O14  1  0.25000000  0.30188900  0.98182500  1
  O  O15  1  0.75000000  0.69811100  0.01817500  1
  F  F16  1  0.75000000  0.73686700  0.47431300  1
  F  F17  1  0.25000000  0.26313300  0.52568700  1
  F  F18  1  0.50337400  0.49652500  0.25541200  1
  F  F19  1  0.99662600  0.49652500  0.25541200  1
  F  F20  1  0.99662600  0.99652500  0.24458800  1
  F  F21  1  0.50337400  0.99652500  0.24458800  1
  F  F22  1  0.25000000  0.76313300  0.97431300  1
  F  F23  1  0.75000000  0.23686700  0.02568700  1
  F  F24  1  0.00337400  0.00347500  0.75541200  1
  F  F25  1  0.49662600  0.00347500  0.75541200  1
  F  F26  1  0.00337400  0.50347500  0.74458800  1
  F  F27  1  0.49662600  0.50347500  0.74458800  1
