# generated using pymatgen
data_LiFeOF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29702900
_cell_length_b   8.95536117
_cell_length_c   9.86519742
_cell_angle_alpha   89.71953195
_cell_angle_beta   81.49254801
_cell_angle_gamma   89.89808731
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeOF2
_chemical_formula_sum   'Li8 Fe8 O8 F16'
_cell_volume   462.81838068
_cell_formula_units_Z   8
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  0.80281100  0.59774700  0.80257200  1
  Li  Li1  1  0.19120000  0.89971800  0.69435900  1
  Li  Li2  1  0.29928600  0.40905200  0.80522100  1
  Li  Li3  1  0.69125200  0.08397900  0.69688700  1
  Li  Li4  1  0.31756400  0.90931200  0.31815500  1
  Li  Li5  1  0.67606700  0.59401500  0.19019400  1
  Li  Li6  1  0.82450200  0.08610900  0.31653200  1
  Li  Li7  1  0.17752500  0.41069200  0.17839400  1
  Fe  Fe8  1  0.76201000  0.26986900  0.98375500  1
  Fe  Fe9  1  0.75774000  0.90675100  0.98285300  1
  Fe  Fe10  1  0.25872100  0.09384300  0.98082800  1
  Fe  Fe11  1  0.26035800  0.73351400  0.98616300  1
  Fe  Fe12  1  0.25939500  0.23402800  0.50760000  1
  Fe  Fe13  1  0.25963700  0.59831600  0.51156300  1
  Fe  Fe14  1  0.73618700  0.42943900  0.50276600  1
  Fe  Fe15  1  0.73368200  0.75854300  0.50896400  1
  O  O16  1  0.12034600  0.91388400  0.90038200  1
  O  O17  1  0.62162700  0.09009800  0.90313700  1
  O  O18  1  0.60024700  0.75359900  0.89936800  1
  O  O19  1  0.09828700  0.24718200  0.89870400  1
  O  O20  1  0.40013300  0.74626300  0.61003500  1
  O  O21  1  0.37971800  0.40609600  0.59986700  1
  O  O22  1  0.89361500  0.58436200  0.59940100  1
  O  O23  1  0.60959200  0.58463000  0.39198600  1
  F  F24  1  0.12273400  0.58393100  0.87559900  1
  F  F25  1  0.62911400  0.41398400  0.86548000  1
  F  F26  1  0.87047000  0.91283200  0.62532100  1
  F  F27  1  0.89592900  0.25029400  0.59963600  1
  F  F28  1  0.36355000  0.08672900  0.63040900  1
  F  F29  1  0.64353900  0.91312100  0.37788900  1
  F  F30  1  0.10940700  0.40253900  0.38444800  1
  F  F31  1  0.10358600  0.74876800  0.38910500  1
  F  F32  1  0.15165700  0.09311700  0.37779100  1
  F  F33  1  0.60995400  0.24882500  0.39329900  1
  F  F34  1  0.89829600  0.75690200  0.11065800  1
  F  F35  1  0.89623300  0.08075800  0.11870900  1
  F  F36  1  0.34295800  0.59362600  0.12821000  1
  F  F37  1  0.39744900  0.24714700  0.10937000  1
  F  F38  1  0.39197900  0.91760700  0.11781500  1
  F  F39  1  0.84164100  0.40878300  0.12657600  1
