# generated using pymatgen
data_Li2FePO4F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.37448807
_cell_length_b   10.89152781
_cell_length_c   7.53486711
_cell_angle_alpha   72.26505432
_cell_angle_beta   71.54185624
_cell_angle_gamma   95.00030777
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2FePO4F
_chemical_formula_sum   'Li8 Fe4 P4 O16 F4'
_cell_volume   390.17524952
_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  0.84248700  0.22743100  0.11818100  1
  Li  Li1  1  0.84181900  0.72738200  0.11846700  1
  Li  Li2  1  0.48485500  0.41716400  0.86247200  1
  Li  Li3  1  0.48447000  0.91729800  0.86262500  1
  Li  Li4  1  0.51025100  0.02875700  0.47821100  1
  Li  Li5  1  0.50993500  0.52887300  0.47859300  1
  Li  Li6  1  0.22810600  0.27606500  0.70542100  1
  Li  Li7  1  0.22759800  0.77596600  0.70597200  1
  Fe  Fe8  1  0.99193700  0.00061500  0.01774200  1
  Fe  Fe9  1  0.00715600  0.00046800  0.50351800  1
  Fe  Fe10  1  0.99217700  0.50084500  0.01777800  1
  Fe  Fe11  1  0.00717600  0.50079200  0.50306200  1
  P  P12  1  0.34005700  0.31311100  0.26058100  1
  P  P13  1  0.33973200  0.81313800  0.26077000  1
  P  P14  1  0.65556700  0.18329100  0.76884100  1
  P  P15  1  0.65521900  0.68336500  0.76887800  1
  O  O16  1  0.72063800  0.09885100  0.63272100  1
  O  O17  1  0.72006700  0.59873700  0.63304900  1
  O  O18  1  0.27758900  0.38237000  0.41773800  1
  O  O19  1  0.27754400  0.88231900  0.41801400  1
  O  O20  1  0.67263300  0.33202100  0.65602200  1
  O  O21  1  0.67283200  0.83210300  0.65584900  1
  O  O22  1  0.85522300  0.17315300  0.88152700  1
  O  O23  1  0.85452300  0.67311800  0.88183600  1
  O  O24  1  0.14899600  0.33435200  0.14106600  1
  O  O25  1  0.14833000  0.83424400  0.14157500  1
  O  O26  1  0.62985000  0.37161400  0.09883600  1
  O  O27  1  0.62939300  0.87166300  0.09889600  1
  O  O28  1  0.32487900  0.16546700  0.36888600  1
  O  O29  1  0.32467600  0.66547200  0.36895000  1
  O  O30  1  0.35820500  0.13025500  0.90813900  1
  O  O31  1  0.35762600  0.63072300  0.90796000  1
  F  F32  1  0.17990200  0.44474800  0.74659800  1
  F  F33  1  0.18008900  0.94467000  0.74685300  1
  F  F34  1  0.84654900  0.05395600  0.27354000  1
  F  F35  1  0.84614900  0.55397100  0.27364700  1
