# generated using pymatgen
data_LiFeOF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29250300
_cell_length_b   8.81395200
_cell_length_c   12.61117157
_cell_angle_alpha   49.03233671
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeOF2
_chemical_formula_sum   'Li8 Fe8 O8 F16'
_cell_volume   444.20151846
_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  0.06963100  0.82779600  0.00319200  1
  Li  Li1  1  0.09695200  0.95510900  0.21329500  1
  Li  Li2  1  0.90304800  0.95510900  0.71329500  1
  Li  Li3  1  0.93036900  0.82779600  0.50319200  1
  Li  Li4  1  0.57534700  0.63636300  0.00608000  1
  Li  Li5  1  0.58870500  0.15247600  0.19549900  1
  Li  Li6  1  0.41129500  0.15247600  0.69549900  1
  Li  Li7  1  0.42465300  0.63636300  0.50608000  1
  Fe  Fe8  1  0.07297300  0.32512900  0.19077900  1
  Fe  Fe9  1  0.04320400  0.44338600  0.41939500  1
  Fe  Fe10  1  0.95679600  0.44338600  0.91939500  1
  Fe  Fe11  1  0.92702700  0.32512900  0.69077900  1
  Fe  Fe12  1  0.60865400  0.78505700  0.19884200  1
  Fe  Fe13  1  0.61596300  0.23382800  0.43304600  1
  Fe  Fe14  1  0.38403700  0.23382800  0.93304600  1
  Fe  Fe15  1  0.39134600  0.78505700  0.69884200  1
  O  O16  1  0.20814400  0.41615400  0.56576100  1
  O  O17  1  0.23428900  0.26377400  0.06161200  1
  O  O18  1  0.07758400  0.33912900  0.82785600  1
  O  O19  1  0.08974700  0.70880800  0.79380000  1
  O  O20  1  0.91025300  0.70880800  0.29380000  1
  O  O21  1  0.92241600  0.33912900  0.32785600  1
  O  O22  1  0.76571100  0.26377400  0.56161200  1
  O  O23  1  0.79185600  0.41615400  0.06576100  1
  F  F24  1  0.24173300  0.58863000  0.07626300  1
  F  F25  1  0.06824400  0.04019400  0.80518900  1
  F  F26  1  0.93175600  0.04019400  0.30518900  1
  F  F27  1  0.75826700  0.58863000  0.57626300  1
  F  F28  1  0.72391400  0.77375500  0.05852400  1
  F  F29  1  0.71383600  0.93476200  0.56575700  1
  F  F30  1  0.69791500  0.09362200  0.06503600  1
  F  F31  1  0.57986700  0.50991100  0.82291500  1
  F  F32  1  0.57103000  0.85152000  0.80267500  1
  F  F33  1  0.58263500  0.20937800  0.80570300  1
  F  F34  1  0.41736500  0.20937800  0.30570300  1
  F  F35  1  0.42897000  0.85152000  0.30267500  1
  F  F36  1  0.42013300  0.50991100  0.32291500  1
  F  F37  1  0.30208500  0.09362200  0.56503600  1
  F  F38  1  0.28616400  0.93476200  0.06575700  1
  F  F39  1  0.27608600  0.77375500  0.55852400  1
