# generated using pymatgen
data_LiFe3OF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.94209214
_cell_length_b   5.94209214
_cell_length_c   7.60411402
_cell_angle_alpha   71.77959841
_cell_angle_beta   71.77959841
_cell_angle_gamma   72.92356664
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe3OF5
_chemical_formula_sum   'Li2 Fe6 O2 F10'
_cell_volume   236.46276622
_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  0.11557100  0.63639500  0.87652400  1
  Li  Li1  1  0.63639500  0.11557100  0.87652400  1
  Fe  Fe2  1  0.32633600  0.32633600  0.17668400  1
  Fe  Fe3  1  0.00072000  0.00072000  0.51283300  1
  Fe  Fe4  1  0.66334200  0.66334200  0.33582300  1
  Fe  Fe5  1  0.64813500  0.64813500  0.82738200  1
  Fe  Fe6  1  0.28830200  0.28830200  0.66243200  1
  Fe  Fe7  1  0.04288100  0.04288100  0.01331300  1
  O  O8  1  0.06461100  0.06461100  0.73183400  1
  O  O9  1  0.26899500  0.26899500  0.95370500  1
  F  F10  1  0.70463700  0.29998000  0.01099200  1
  F  F11  1  0.29998000  0.70463700  0.01099200  1
  F  F12  1  0.76202100  0.76202100  0.02107300  1
  F  F13  1  0.42772300  0.42772300  0.36842400  1
  F  F14  1  0.37657100  0.95265700  0.33695100  1
  F  F15  1  0.95265700  0.37657100  0.33695100  1
  F  F16  1  0.90282900  0.90282900  0.30827100  1
  F  F17  1  0.01287000  0.62175100  0.67065400  1
  F  F18  1  0.62175100  0.01287000  0.67065400  1
  F  F19  1  0.54854200  0.54854200  0.63812500  1
