# generated using pymatgen
data_LiFe5O5F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.56673098
_cell_length_b   3.56673098
_cell_length_c   13.41339855
_cell_angle_alpha   89.95099101
_cell_angle_beta   89.95099101
_cell_angle_gamma   60.06984991
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe5O5F
_chemical_formula_sum   'Li1 Fe5 O5 F1'
_cell_volume   147.88196251
_cell_formula_units_Z   1
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  0.33018300  0.33018300  0.01595900  1
  Fe  Fe1  1  0.33458700  0.33458700  0.68811300  1
  Fe  Fe2  1  0.33277700  0.33277700  0.35064100  1
  Fe  Fe3  1  0.65787700  0.65787700  0.51971400  1
  Fe  Fe4  1  0.67096300  0.67096300  0.85381800  1
  Fe  Fe5  1  0.65615900  0.65615900  0.18545800  1
  O  O6  1  0.33523800  0.33523800  0.52077400  1
  O  O7  1  0.33372600  0.33372600  0.18100000  1
  O  O8  1  0.32657400  0.32657400  0.86043200  1
  O  O9  1  0.67846900  0.67846900  0.68813100  1
  O  O10  1  0.67789600  0.67789600  0.35317400  1
  F  F11  1  0.66615000  0.66615000  0.01975400  1
