# generated using pymatgen
data_LiFePO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07392200
_cell_length_b   6.06433500
_cell_length_c   11.38224100
_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   'Li4 Fe4 P4 O16'
_cell_volume   350.23113183
_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  0.99133600  0.71708400  0.06513300  1
  Li  Li1  1  0.49133600  0.28291600  0.93486700  1
  Li  Li2  1  0.99133600  0.78291600  0.56513300  1
  Li  Li3  1  0.49133600  0.21708400  0.43486700  1
  Fe  Fe4  1  0.98810400  0.03586500  0.83245700  1
  Fe  Fe5  1  0.48810400  0.53586500  0.66754300  1
  Fe  Fe6  1  0.98810400  0.46413500  0.33245700  1
  Fe  Fe7  1  0.48810400  0.96413500  0.16754300  1
  P  P8  1  0.99700500  0.23004300  0.08814300  1
  P  P9  1  0.49700500  0.73004300  0.41185700  1
  P  P10  1  0.99700500  0.26995700  0.58814300  1
  P  P11  1  0.49700500  0.76995700  0.91185700  1
  O  O12  1  0.30206500  0.21370100  0.08244900  1
  O  O13  1  0.42018500  0.55931000  0.84084800  1
  O  O14  1  0.38916700  0.98342900  0.85199100  1
  O  O15  1  0.80206500  0.78629900  0.91755100  1
  O  O16  1  0.38302600  0.74508700  0.03828800  1
  O  O17  1  0.80206500  0.71370100  0.41755100  1
  O  O18  1  0.88916700  0.01657100  0.14800900  1
  O  O19  1  0.92018500  0.05931000  0.65915200  1
  O  O20  1  0.42018500  0.94069000  0.34084800  1
  O  O21  1  0.38916700  0.51657100  0.35199100  1
  O  O22  1  0.88302600  0.25491300  0.96171200  1
  O  O23  1  0.88302600  0.24508700  0.46171200  1
  O  O24  1  0.38302600  0.75491300  0.53828800  1
  O  O25  1  0.30206500  0.28629900  0.58244900  1
  O  O26  1  0.88916700  0.48342900  0.64800900  1
  O  O27  1  0.92018500  0.44069000  0.15915200  1
