# generated using pymatgen
data_Li5FeO3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.66700000
_cell_length_b   8.00747233
_cell_length_c   7.43947824
_cell_angle_alpha   89.98456997
_cell_angle_beta   90.00056756
_cell_angle_gamma   89.99792975
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li5FeO3F
_chemical_formula_sum   'Li20 Fe4 O12 F4'
_cell_volume   397.16261690
_cell_formula_units_Z   4
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  0.24997900  0.44814300  0.45741800  1
  Li  Li1  1  0.24998700  0.94818800  0.95738000  1
  Li  Li2  1  0.24999000  0.15867200  0.50243900  1
  Li  Li3  1  0.24997300  0.65872500  0.00240800  1
  Li  Li4  1  0.74999200  0.86552600  0.50412300  1
  Li  Li5  1  0.74998200  0.36547800  0.00417700  1
  Li  Li6  1  0.74999200  0.57718000  0.45699000  1
  Li  Li7  1  0.74997900  0.07709300  0.95689500  1
  Li  Li8  1  0.99965300  0.01229100  0.18290400  1
  Li  Li9  1  0.99961500  0.51230200  0.68282700  1
  Li  Li10  1  0.50036300  0.01229100  0.18288900  1
  Li  Li11  1  0.50029300  0.51231200  0.68285000  1
  Li  Li12  1  0.02077800  0.16069200  0.75439800  1
  Li  Li13  1  0.02071000  0.66070700  0.25441100  1
  Li  Li14  1  0.47919100  0.16068600  0.75438100  1
  Li  Li15  1  0.47925700  0.66071000  0.25444200  1
  Li  Li16  1  0.97982300  0.86651300  0.75501500  1
  Li  Li17  1  0.97977300  0.36649600  0.25509300  1
  Li  Li18  1  0.52017300  0.86650800  0.75501400  1
  Li  Li19  1  0.52014900  0.36648300  0.25507300  1
  Fe  Fe20  1  0.75014800  0.71162400  0.01777400  1
  Fe  Fe21  1  0.25007600  0.81205600  0.51977300  1
  Fe  Fe22  1  0.74995100  0.21205500  0.51784700  1
  Fe  Fe23  1  0.24999700  0.31222300  0.01954800  1
  O  O24  1  0.74999800  0.02002400  0.70964400  1
  O  O25  1  0.74997800  0.51991100  0.20999500  1
  O  O26  1  0.24992000  0.00557600  0.70935300  1
  O  O27  1  0.24992800  0.50530500  0.20930900  1
  O  O28  1  0.48537600  0.31205700  0.51924100  1
  O  O29  1  0.48561000  0.81185600  0.01928900  1
  O  O30  1  0.01456700  0.31202700  0.51923300  1
  O  O31  1  0.01456700  0.81205900  0.01921400  1
  O  O32  1  0.98530700  0.71277200  0.51987400  1
  O  O33  1  0.98529500  0.21257500  0.01986600  1
  O  O34  1  0.51495100  0.71283700  0.52029100  1
  O  O35  1  0.51460200  0.21266500  0.01976800  1
  F  F36  1  0.74999600  0.01225700  0.30424000  1
  F  F37  1  0.74998900  0.51230600  0.80429800  1
  F  F38  1  0.25031500  0.01087000  0.30401000  1
  F  F39  1  0.24978100  0.51138900  0.80370800  1
