# generated using pymatgen
data_LiFePO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.80452600
_cell_length_b   7.68489000
_cell_length_c   13.98183900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFePO4
_chemical_formula_sum   'Li8 Fe8 P8 O32'
_cell_volume   623.68990303
_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  0.41500100  0.17175600  0.52706100  1
  Li  Li1  1  0.91500100  0.17175600  0.97293900  1
  Li  Li2  1  0.41500100  0.32824400  0.02706100  1
  Li  Li3  1  0.91500100  0.32824400  0.47293900  1
  Li  Li4  1  0.08499900  0.67175600  0.52706100  1
  Li  Li5  1  0.58499900  0.67175600  0.97293900  1
  Li  Li6  1  0.08499900  0.82824400  0.02706100  1
  Li  Li7  1  0.58499900  0.82824400  0.47293900  1
  Fe  Fe8  1  0.15964700  0.18411500  0.21843300  1
  Fe  Fe9  1  0.65964700  0.18411500  0.28156700  1
  Fe  Fe10  1  0.65964700  0.31588500  0.78156700  1
  Fe  Fe11  1  0.15964700  0.31588500  0.71843300  1
  Fe  Fe12  1  0.34035300  0.68411500  0.21843300  1
  Fe  Fe13  1  0.84035300  0.68411500  0.28156700  1
  Fe  Fe14  1  0.34035300  0.81588500  0.71843300  1
  Fe  Fe15  1  0.84035300  0.81588500  0.78156700  1
  P  P16  1  0.89492800  0.04056600  0.62651300  1
  P  P17  1  0.39492800  0.04056600  0.87348700  1
  P  P18  1  0.89492800  0.45943400  0.12651300  1
  P  P19  1  0.39492800  0.45943400  0.37348700  1
  P  P20  1  0.60507200  0.54056600  0.62651300  1
  P  P21  1  0.10507200  0.54056600  0.87348700  1
  P  P22  1  0.60507200  0.95943400  0.12651300  1
  P  P23  1  0.10507200  0.95943400  0.37348700  1
  O  O24  1  0.81321800  0.97638500  0.06147500  1
  O  O25  1  0.31321800  0.97638500  0.43852500  1
  O  O26  1  0.32368600  0.08548300  0.76685800  1
  O  O27  1  0.82368600  0.08548300  0.73314200  1
  O  O28  1  0.48143600  0.14005600  0.14231400  1
  O  O29  1  0.98143600  0.14005600  0.35768600  1
  O  O30  1  0.06705600  0.18350300  0.59296900  1
  O  O31  1  0.56705600  0.18350300  0.90703100  1
  O  O32  1  0.06705600  0.31649700  0.09296900  1
  O  O33  1  0.56705600  0.31649700  0.40703100  1
  O  O34  1  0.48143600  0.35994400  0.64231400  1
  O  O35  1  0.98143600  0.35994400  0.85768600  1
  O  O36  1  0.82368600  0.41451700  0.23314200  1
  O  O37  1  0.32368600  0.41451700  0.26685800  1
  O  O38  1  0.81321800  0.52361500  0.56147500  1
  O  O39  1  0.31321800  0.52361500  0.93852500  1
  O  O40  1  0.18678200  0.47638500  0.43852500  1
  O  O41  1  0.68678200  0.47638500  0.06147500  1
  O  O42  1  0.67631400  0.58548300  0.73314200  1
  O  O43  1  0.17631400  0.58548300  0.76685800  1
  O  O44  1  0.01856400  0.64005600  0.14231400  1
  O  O45  1  0.51856400  0.64005600  0.35768600  1
  O  O46  1  0.43294400  0.68350300  0.59296900  1
  O  O47  1  0.93294400  0.68350300  0.90703100  1
  O  O48  1  0.43294400  0.81649700  0.09296900  1
  O  O49  1  0.93294400  0.81649700  0.40703100  1
  O  O50  1  0.01856400  0.85994400  0.64231400  1
  O  O51  1  0.51856400  0.85994400  0.85768600  1
  O  O52  1  0.67631400  0.91451700  0.23314200  1
  O  O53  1  0.17631400  0.91451700  0.26685800  1
  O  O54  1  0.68678200  0.02361500  0.56147500  1
  O  O55  1  0.18678200  0.02361500  0.93852500  1
