# generated using pymatgen
data_LiFePO4F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.32243500
_cell_length_b   10.70229200
_cell_length_c   12.89289000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFePO4F
_chemical_formula_sum   'Li8 Fe8 P8 O32 F8'
_cell_volume   872.39154230
_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  0.95207400  0.97791700  0.10493000  1
  Li  Li1  1  0.23919000  0.22910900  0.21967500  1
  Li  Li2  1  0.73919000  0.72910900  0.28032500  1
  Li  Li3  1  0.45207400  0.47791700  0.39507000  1
  Li  Li4  1  0.54792600  0.97791700  0.60493000  1
  Li  Li5  1  0.26081000  0.22910900  0.71967500  1
  Li  Li6  1  0.76081000  0.72910900  0.78032500  1
  Li  Li7  1  0.04792600  0.47791700  0.89507000  1
  Fe  Fe8  1  0.99818700  0.49495500  0.11366400  1
  Fe  Fe9  1  0.24733900  0.74661100  0.24802800  1
  Fe  Fe10  1  0.74733900  0.24661100  0.25197200  1
  Fe  Fe11  1  0.49818700  0.99495500  0.38633600  1
  Fe  Fe12  1  0.50181300  0.49495500  0.61366400  1
  Fe  Fe13  1  0.25266100  0.74661100  0.74802800  1
  Fe  Fe14  1  0.75266100  0.24661100  0.75197200  1
  Fe  Fe15  1  0.00181300  0.99495500  0.88633600  1
  P  P16  1  0.83485200  0.24143100  0.00293700  1
  P  P17  1  0.50178300  0.49735100  0.18756700  1
  P  P18  1  0.00178300  0.99735100  0.31243300  1
  P  P19  1  0.33485200  0.74143100  0.49706300  1
  P  P20  1  0.66514800  0.24143100  0.50293700  1
  P  P21  1  0.99821700  0.49735100  0.68756700  1
  P  P22  1  0.49821700  0.99735100  0.81243300  1
  P  P23  1  0.16514800  0.74143100  0.99706300  1
  O  O24  1  0.03007300  0.61819400  0.99848500  1
  O  O25  1  0.98855100  0.35656300  0.00832300  1
  O  O26  1  0.29664400  0.75181000  0.09727000  1
  O  O27  1  0.69260200  0.23808400  0.10003000  1
  O  O28  1  0.30368500  0.47684800  0.12280200  1
  O  O29  1  0.69463200  0.51599600  0.11853400  1
  O  O30  1  0.97540600  0.11151300  0.23633200  1
  O  O31  1  0.02916900  0.88404100  0.23575900  1
  O  O32  1  0.52916900  0.38404100  0.26424100  1
  O  O33  1  0.47540600  0.61151300  0.26366800  1
  O  O34  1  0.19463200  0.01599600  0.38146600  1
  O  O35  1  0.80368500  0.97684800  0.37719800  1
  O  O36  1  0.19260200  0.73808400  0.39997000  1
  O  O37  1  0.79664400  0.25181000  0.40273000  1
  O  O38  1  0.48855100  0.85656300  0.49167700  1
  O  O39  1  0.53007300  0.11819400  0.50151500  1
  O  O40  1  0.46992700  0.61819400  0.49848500  1
  O  O41  1  0.51144900  0.35656300  0.50832300  1
  O  O42  1  0.20335600  0.75181000  0.59727000  1
  O  O43  1  0.80739800  0.23808400  0.60003000  1
  O  O44  1  0.19631500  0.47684800  0.62280200  1
  O  O45  1  0.80536800  0.51599600  0.61853400  1
  O  O46  1  0.52459400  0.11151300  0.73633200  1
  O  O47  1  0.47083100  0.88404100  0.73575900  1
  O  O48  1  0.97083100  0.38404100  0.76424100  1
  O  O49  1  0.02459400  0.61151300  0.76366800  1
  O  O50  1  0.30536800  0.01599600  0.88146600  1
  O  O51  1  0.69631500  0.97684800  0.87719800  1
  O  O52  1  0.30739800  0.73808400  0.89997000  1
  O  O53  1  0.70335600  0.25181000  0.90273000  1
  O  O54  1  0.01144900  0.85656300  0.99167700  1
  O  O55  1  0.96992700  0.11819400  0.00151500  1
  F  F56  1  0.99966000  0.35904100  0.22843500  1
  F  F57  1  0.99563900  0.63081200  0.23077500  1
  F  F58  1  0.49563900  0.13081200  0.26922500  1
  F  F59  1  0.49966000  0.85904100  0.27156500  1
  F  F60  1  0.50034000  0.35904100  0.72843500  1
  F  F61  1  0.50436100  0.63081200  0.73077500  1
  F  F62  1  0.00436100  0.13081200  0.76922500  1
  F  F63  1  0.00034000  0.85904100  0.77156500  1
