# generated using pymatgen
data_Li5FeOF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14720500
_cell_length_b   5.14720500
_cell_length_c   14.51083700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99998715
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li5FeOF5
_chemical_formula_sum   'Li15 Fe3 O3 F15'
_cell_volume   332.94008229
_cell_formula_units_Z   3
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  0.75646000  0.21601800  0.82847600  1
  Li  Li1  1  0.77409200  0.86409700  0.49448700  1
  Li  Li2  1  0.77834900  0.90333400  0.00499900  1
  Li  Li3  1  0.12498500  0.22165100  0.67166600  1
  Li  Li4  1  0.09000400  0.22590800  0.16115400  1
  Li  Li5  1  0.78398200  0.54044300  0.16180900  1
  Li  Li6  1  0.13590300  0.90999600  0.82782100  1
  Li  Li7  1  0.09666600  0.87501500  0.33833300  1
  Li  Li8  1  0.09667600  0.54192100  0.00460800  1
  Li  Li9  1  0.09885100  0.55702300  0.49711600  1
  Li  Li10  1  0.45955700  0.24354000  0.49514200  1
  Li  Li11  1  0.44524500  0.90332400  0.67127500  1
  Li  Li12  1  0.45817200  0.90114900  0.16378300  1
  Li  Li13  1  0.44297700  0.54182800  0.83045000  1
  Li  Li14  1  0.45807900  0.55475500  0.33794100  1
  Fe  Fe15  1  0.77719400  0.24398200  0.33809400  1
  Fe  Fe16  1  0.75601800  0.53321200  0.67142700  1
  Fe  Fe17  1  0.46678800  0.22280600  0.00476100  1
  O  O18  1  0.77103000  0.22206200  0.08162300  1
  O  O19  1  0.77793800  0.54896800  0.41495700  1
  O  O20  1  0.45103200  0.22897000  0.74829000  1
  F  F21  1  0.77948800  0.20666100  0.58040800  1
  F  F22  1  0.78707400  0.90552000  0.75122700  1
  F  F23  1  0.77587500  0.90718500  0.25403700  1
  F  F24  1  0.11844500  0.21292600  0.41789400  1
  F  F25  1  0.79333900  0.57282700  0.91374100  1
  F  F26  1  0.13131000  0.22412500  0.92070300  1
  F  F27  1  0.09281500  0.86869000  0.58737000  1
  F  F28  1  0.09448000  0.88155500  0.08456000  1
  F  F29  1  0.12517100  0.56923100  0.24719900  1
  F  F30  1  0.12499900  0.55994000  0.75109000  1
  F  F31  1  0.42717300  0.22051200  0.24707500  1
  F  F32  1  0.44405900  0.87482900  0.91386600  1
  F  F33  1  0.43494000  0.87500100  0.41775600  1
  F  F34  1  0.44006000  0.56506000  0.08442300  1
  F  F35  1  0.43076900  0.55594100  0.58053300  1
