# generated using pymatgen
data_LiFeOF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.16426139
_cell_length_b   4.29468864
_cell_length_c   4.51564674
_cell_angle_alpha   90.02574440
_cell_angle_beta   89.97752587
_cell_angle_gamma   88.77532449
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeOF
_chemical_formula_sum   'Li2 Fe2 O2 F2'
_cell_volume   80.74029463
_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  0.75756200  0.25747800  0.75020500  1
  Li  Li1  1  0.25756200  0.75747800  0.75018500  1
  Fe  Fe2  1  0.75767300  0.75757900  0.24643600  1
  Fe  Fe3  1  0.25767100  0.25757700  0.24643000  1
  O  O4  1  0.75769800  0.25757400  0.24306500  1
  O  O5  1  0.25769500  0.75757300  0.24308900  1
  F  F6  1  0.75761800  0.75759700  0.74500400  1
  F  F7  1  0.25761900  0.25759700  0.74500900  1
