# generated using pymatgen
data_Li2FePO4F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08936900
_cell_length_b   11.51676400
_cell_length_c   13.14445200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2FePO4F
_chemical_formula_sum   'Li16 Fe8 P8 O32 F8'
_cell_volume   770.43657585
_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  0.21793000  0.17746300  0.26015100  1
  Li  Li1  1  0.21793000  0.67746300  0.73984900  1
  Li  Li2  1  0.22199400  0.90205600  0.13331300  1
  Li  Li3  1  0.22199400  0.40205600  0.86668700  1
  Li  Li4  1  0.27800600  0.40205600  0.36668700  1
  Li  Li5  1  0.27800600  0.90205600  0.63331300  1
  Li  Li6  1  0.28207000  0.67746300  0.23984900  1
  Li  Li7  1  0.28207000  0.17746300  0.76015100  1
  Li  Li8  1  0.71793000  0.82253700  0.23984900  1
  Li  Li9  1  0.71793000  0.32253700  0.76015100  1
  Li  Li10  1  0.72199400  0.09794400  0.36668700  1
  Li  Li11  1  0.72199400  0.59794400  0.63331300  1
  Li  Li12  1  0.77800600  0.59794400  0.13331300  1
  Li  Li13  1  0.77800600  0.09794400  0.86668700  1
  Li  Li14  1  0.78207000  0.82253700  0.73984900  1
  Li  Li15  1  0.78207000  0.32253700  0.26015100  1
  Fe  Fe16  1  0.22892200  0.66964600  0.00774200  1
  Fe  Fe17  1  0.22892200  0.16964600  0.99225800  1
  Fe  Fe18  1  0.27107800  0.66964600  0.50774200  1
  Fe  Fe19  1  0.27107800  0.16964600  0.49225800  1
  Fe  Fe20  1  0.72892200  0.83035400  0.50774200  1
  Fe  Fe21  1  0.72892200  0.33035400  0.49225800  1
  Fe  Fe22  1  0.77107800  0.83035400  0.00774200  1
  Fe  Fe23  1  0.77107800  0.33035400  0.99225800  1
  P  P24  1  0.20407500  0.41617000  0.62767000  1
  P  P25  1  0.20407500  0.91617000  0.37233000  1
  P  P26  1  0.29592500  0.41617000  0.12767000  1
  P  P27  1  0.29592500  0.91617000  0.87233000  1
  P  P28  1  0.70407500  0.08383000  0.12767000  1
  P  P29  1  0.70407500  0.58383000  0.87233000  1
  P  P30  1  0.79592500  0.58383000  0.37233000  1
  P  P31  1  0.79592500  0.08383000  0.62767000  1
  O  O32  1  0.10458600  0.09462900  0.62113400  1
  O  O33  1  0.10458600  0.59462900  0.37886600  1
  O  O34  1  0.17888800  0.35723200  0.02981900  1
  O  O35  1  0.17888800  0.85723200  0.97018100  1
  O  O36  1  0.18811200  0.35647100  0.22294600  1
  O  O37  1  0.18811200  0.85647100  0.77705400  1
  O  O38  1  0.21810900  0.54618200  0.12742800  1
  O  O39  1  0.21810900  0.04618200  0.87257200  1
  O  O40  1  0.28189100  0.04618200  0.37257200  1
  O  O41  1  0.28189100  0.54618200  0.62742800  1
  O  O42  1  0.31188800  0.85647100  0.27705400  1
  O  O43  1  0.31188800  0.35647100  0.72294600  1
  O  O44  1  0.32111200  0.35723200  0.52981900  1
  O  O45  1  0.32111200  0.85723200  0.47018100  1
  O  O46  1  0.39541400  0.09462900  0.12113400  1
  O  O47  1  0.39541400  0.59462900  0.87886600  1
  O  O48  1  0.60458600  0.90537100  0.87886600  1
  O  O49  1  0.60458600  0.40537100  0.12113400  1
  O  O50  1  0.67888800  0.64276800  0.47018100  1
  O  O51  1  0.67888800  0.14276800  0.52981900  1
  O  O52  1  0.68811200  0.14352900  0.72294600  1
  O  O53  1  0.68811200  0.64352900  0.27705400  1
  O  O54  1  0.71810900  0.45381800  0.37257200  1
  O  O55  1  0.71810900  0.95381800  0.62742800  1
  O  O56  1  0.78189100  0.95381800  0.12742800  1
  O  O57  1  0.78189100  0.45381800  0.87257200  1
  O  O58  1  0.81188800  0.14352900  0.22294600  1
  O  O59  1  0.81188800  0.64352900  0.77705400  1
  O  O60  1  0.82111200  0.14276800  0.02981900  1
  O  O61  1  0.82111200  0.64276800  0.97018100  1
  O  O62  1  0.89541400  0.90537100  0.37886600  1
  O  O63  1  0.89541400  0.40537100  0.62113400  1
  F  F64  1  0.00000000  0.25000000  0.39489100  1
  F  F65  1  0.00000000  0.75000000  0.13570200  1
  F  F66  1  0.00000000  0.25000000  0.86429800  1
  F  F67  1  0.00000000  0.75000000  0.60510900  1
  F  F68  1  0.50000000  0.25000000  0.36429800  1
  F  F69  1  0.50000000  0.75000000  0.10510900  1
  F  F70  1  0.50000000  0.75000000  0.63570200  1
  F  F71  1  0.50000000  0.25000000  0.89489100  1
