# generated using pymatgen
data_LiFePO4F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21172000
_cell_length_b   5.36560926
_cell_length_c   7.39721607
_cell_angle_alpha   106.77179127
_cell_angle_beta   108.76034616
_cell_angle_gamma   97.87983281
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFePO4F
_chemical_formula_sum   'Li2 Fe2 P2 O8 F2'
_cell_volume   181.40448709
_cell_formula_units_Z   2
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  0.26875000  0.61381700  0.18738200  1
  Li  Li1  1  0.73125000  0.38618300  0.81261800  1
  Fe  Fe2  1  0.00000000  0.00000000  0.00000000  1
  Fe  Fe3  1  0.00000000  0.00000000  0.50000000  1
  P  P4  1  0.32218400  0.64148200  0.76314000  1
  P  P5  1  0.67781600  0.35851800  0.23686000  1
  O  O6  1  0.30907900  0.34135700  0.65926100  1
  O  O7  1  0.69092100  0.65864300  0.34073900  1
  O  O8  1  0.36797700  0.24233200  0.08407800  1
  O  O9  1  0.75188000  0.21282500  0.38955200  1
  O  O10  1  0.63202300  0.75766800  0.91592200  1
  O  O11  1  0.24812000  0.78717500  0.61044800  1
  O  O12  1  0.12568800  0.66458800  0.88677900  1
  O  O13  1  0.87431200  0.33541200  0.11322100  1
  F  F14  1  0.12908700  0.92913200  0.26355000  1
  F  F15  1  0.87091300  0.07086800  0.73645000  1
