# generated using pymatgen
data_Li2FePO4F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.37179300
_cell_length_b   5.42605915
_cell_length_c   7.51008971
_cell_angle_alpha   107.06274369
_cell_angle_beta   107.92467262
_cell_angle_gamma   94.82419309
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2FePO4F
_chemical_formula_sum   'Li4 Fe2 P2 O8 F2'
_cell_volume   195.41473479
_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  0.23383100  0.58209300  0.15153400  1
  Li  Li1  1  0.46509900  0.13058400  0.84985400  1
  Li  Li2  1  0.49921600  0.99433300  0.47978100  1
  Li  Li3  1  0.80427200  0.44680200  0.82738800  1
  Fe  Fe4  1  0.99874700  0.00168700  0.00818200  1
  Fe  Fe5  1  0.98394700  0.98713800  0.49155300  1
  P  P6  1  0.65896200  0.37049400  0.24130900  1
  P  P7  1  0.33728600  0.62515500  0.76725200  1
  O  O8  1  0.26040500  0.78722000  0.62591400  1
  O  O9  1  0.73761200  0.22526700  0.39154400  1
  O  O10  1  0.33150800  0.32908900  0.66423900  1
  O  O11  1  0.14788800  0.65082300  0.89091600  1
  O  O12  1  0.83970400  0.34393300  0.10953200  1
  O  O13  1  0.36706800  0.24766600  0.08819000  1
  O  O14  1  0.65476600  0.66239500  0.34444600  1
  O  O15  1  0.63020800  0.74787200  0.90700900  1
  F  F16  1  0.81717300  0.08789600  0.73020600  1
  F  F17  1  0.16019000  0.91118700  0.27256000  1
