# generated using pymatgen
data_Li4Fe3OF8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.31607800
_cell_length_b   5.76209200
_cell_length_c   24.30001000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4Fe3OF8
_chemical_formula_sum   'Li16 Fe12 O4 F32'
_cell_volume   744.35135784
_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  0.99665600  0.98846600  0.57388600  1
  Li  Li1  1  0.99665600  0.98846600  0.42611400  1
  Li  Li2  1  0.55127000  0.99869500  0.78217400  1
  Li  Li3  1  0.55127000  0.99869500  0.21782600  1
  Li  Li4  1  0.05127000  0.00130500  0.71782600  1
  Li  Li5  1  0.05127000  0.00130500  0.28217400  1
  Li  Li6  1  0.49665600  0.01153400  0.07388600  1
  Li  Li7  1  0.49665600  0.01153400  0.92611400  1
  Li  Li8  1  0.48328800  0.37969700  0.43566100  1
  Li  Li9  1  0.48328800  0.37969700  0.56433900  1
  Li  Li10  1  0.93690000  0.50402800  0.21710200  1
  Li  Li11  1  0.93690000  0.50402800  0.78289800  1
  Li  Li12  1  0.43690000  0.49597200  0.71710200  1
  Li  Li13  1  0.43690000  0.49597200  0.28289800  1
  Li  Li14  1  0.98328800  0.62030300  0.06433900  1
  Li  Li15  1  0.98328800  0.62030300  0.93566100  1
  Fe  Fe16  1  0.46704400  0.91875800  0.50000000  1
  Fe  Fe17  1  0.00005300  0.99387100  0.13832700  1
  Fe  Fe18  1  0.00005300  0.99387100  0.86167300  1
  Fe  Fe19  1  0.50005300  0.00612900  0.63832700  1
  Fe  Fe20  1  0.50005300  0.00612900  0.36167300  1
  Fe  Fe21  1  0.96704400  0.08124200  0.00000000  1
  Fe  Fe22  1  0.99077300  0.38533600  0.50000000  1
  Fe  Fe23  1  0.49473000  0.48524700  0.14215600  1
  Fe  Fe24  1  0.49473000  0.48524700  0.85784400  1
  Fe  Fe25  1  0.99473000  0.51475300  0.64215600  1
  Fe  Fe26  1  0.99473000  0.51475300  0.35784400  1
  Fe  Fe27  1  0.49077300  0.61466400  0.00000000  1
  O  O28  1  0.34461500  0.06204500  0.43305000  1
  O  O29  1  0.34461500  0.06204500  0.56695000  1
  O  O30  1  0.84461500  0.93795500  0.93305000  1
  O  O31  1  0.84461500  0.93795500  0.06695000  1
  F  F32  1  0.29052800  0.73272200  0.10104700  1
  F  F33  1  0.29052800  0.73272200  0.89895300  1
  F  F34  1  0.73355400  0.74336600  0.17719300  1
  F  F35  1  0.73355400  0.74336600  0.82280700  1
  F  F36  1  0.36424300  0.94470300  0.00000000  1
  F  F37  1  0.19068500  0.97369200  0.21046300  1
  F  F38  1  0.19068500  0.97369200  0.78953700  1
  F  F39  1  0.69068500  0.02630800  0.71046300  1
  F  F40  1  0.69068500  0.02630800  0.28953700  1
  F  F41  1  0.86424300  0.05529700  0.50000000  1
  F  F42  1  0.23355400  0.25663400  0.67719300  1
  F  F43  1  0.23355400  0.25663400  0.32280700  1
  F  F44  1  0.79052800  0.26727800  0.60104700  1
  F  F45  1  0.79052800  0.26727800  0.39895300  1
  F  F46  1  0.28295400  0.22042400  0.89063900  1
  F  F47  1  0.28295400  0.22042400  0.10936100  1
  F  F48  1  0.74812600  0.24496400  0.17732200  1
  F  F49  1  0.74812600  0.24496400  0.82267800  1
  F  F50  1  0.12526100  0.46043100  0.00000000  1
  F  F51  1  0.28882800  0.47732100  0.21407300  1
  F  F52  1  0.28882800  0.47732100  0.78592700  1
  F  F53  1  0.18415100  0.55329100  0.56026900  1
  F  F54  1  0.18415100  0.55329100  0.43973100  1
  F  F55  1  0.68415100  0.44670900  0.06026900  1
  F  F56  1  0.68415100  0.44670900  0.93973100  1
  F  F57  1  0.78882800  0.52267900  0.71407300  1
  F  F58  1  0.78882800  0.52267900  0.28592700  1
  F  F59  1  0.62526100  0.53956900  0.50000000  1
  F  F60  1  0.24812600  0.75503600  0.67732200  1
  F  F61  1  0.24812600  0.75503600  0.32267800  1
  F  F62  1  0.78295400  0.77957600  0.60936100  1
  F  F63  1  0.78295400  0.77957600  0.39063900  1
