# generated using pymatgen
data_LiFeOF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.01409038
_cell_length_b   5.39639171
_cell_length_c   5.39712198
_cell_angle_alpha   66.86020959
_cell_angle_beta   92.31345388
_cell_angle_gamma   87.74246385
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeOF
_chemical_formula_sum   'Li2 Fe2 O2 F2'
_cell_volume   80.51112552
_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  0.01504500  0.12482700  0.62496900  1
  Li  Li1  1  0.01504300  0.62483000  0.12497400  1
  Fe  Fe2  1  0.51524600  0.12302400  0.12314200  1
  Fe  Fe3  1  0.51526600  0.62302600  0.62314700  1
  O  O4  1  0.01632700  0.87215200  0.37178900  1
  O  O5  1  0.01417100  0.37123800  0.87183400  1
  F  F6  1  0.51557800  0.37273800  0.37257900  1
  F  F7  1  0.51488000  0.87255300  0.87260300  1
