# generated using pymatgen
data_LiFePO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.73602706
_cell_length_b   8.08830424
_cell_length_c   8.53583039
_cell_angle_alpha   89.97536304
_cell_angle_beta   90.01066048
_cell_angle_gamma   89.98164706
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFePO4
_chemical_formula_sum   'Li4 Fe4 P4 O16'
_cell_volume   326.97711750
_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  0.06158300  0.11076400  0.00418600  1
  Li  Li1  1  0.56169300  0.38938600  0.50411800  1
  Li  Li2  1  0.06116800  0.61032400  0.49606800  1
  Li  Li3  1  0.56103300  0.88967900  0.99600500  1
  Fe  Fe4  1  0.95965700  0.56474900  0.84390500  1
  Fe  Fe5  1  0.45884700  0.93490600  0.34383000  1
  Fe  Fe6  1  0.96031000  0.06448200  0.65589500  1
  Fe  Fe7  1  0.46096200  0.43540400  0.15570700  1
  P  P8  1  0.55032400  0.24170200  0.83202300  1
  P  P9  1  0.05072700  0.25860700  0.33206000  1
  P  P10  1  0.55038900  0.74163000  0.66797500  1
  P  P11  1  0.04994200  0.75813800  0.16790000  1
  O  O12  1  0.69135100  0.09683600  0.91882700  1
  O  O13  1  0.19173800  0.40342500  0.41868800  1
  O  O14  1  0.69169900  0.59617500  0.58227200  1
  O  O15  1  0.19115800  0.90360000  0.08209300  1
  O  O16  1  0.11251200  0.09190400  0.42408400  1
  O  O17  1  0.61259500  0.40839200  0.92380800  1
  O  O18  1  0.11287400  0.59185100  0.07559900  1
  O  O19  1  0.61276200  0.90786900  0.57537100  1
  O  O20  1  0.22766600  0.21117000  0.81290300  1
  O  O21  1  0.72809100  0.28948300  0.31274500  1
  O  O22  1  0.22758900  0.71114300  0.68697400  1
  O  O23  1  0.72712700  0.78846300  0.18683900  1
  O  O24  1  0.68854900  0.25858600  0.66888700  1
  O  O25  1  0.18920400  0.24125200  0.16903200  1
  O  O26  1  0.68863400  0.75945100  0.83107100  1
  O  O27  1  0.18781800  0.74062600  0.33113500  1
