# generated using pymatgen
data_LiFePO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79676200
_cell_length_b   7.44643800
_cell_length_c   17.97976489
_cell_angle_alpha   88.99499348
_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   642.11666710
_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  0.77661000  0.14131300  0.77265700  1
  Li  Li1  1  0.72339000  0.14131300  0.27265700  1
  Li  Li2  1  0.22393300  0.33777900  0.51763700  1
  Li  Li3  1  0.27606700  0.33777900  0.01763700  1
  Li  Li4  1  0.72393300  0.66222100  0.98236300  1
  Li  Li5  1  0.77606700  0.66222100  0.48236300  1
  Li  Li6  1  0.27661000  0.85868700  0.72734300  1
  Li  Li7  1  0.22339000  0.85868700  0.22734300  1
  Fe  Fe8  1  0.74337400  0.03279400  0.60020100  1
  Fe  Fe9  1  0.75662600  0.03279400  0.10020100  1
  Fe  Fe10  1  0.33260700  0.49251500  0.83142000  1
  Fe  Fe11  1  0.16739300  0.49251500  0.33142000  1
  Fe  Fe12  1  0.83260700  0.50748500  0.66858000  1
  Fe  Fe13  1  0.66739300  0.50748500  0.16858000  1
  Fe  Fe14  1  0.24337400  0.96720600  0.89979900  1
  Fe  Fe15  1  0.25662600  0.96720600  0.39979900  1
  P  P16  1  0.34521500  0.24358200  0.67887300  1
  P  P17  1  0.15478500  0.24358200  0.17887300  1
  P  P18  1  0.70511000  0.24619700  0.93106300  1
  P  P19  1  0.79489000  0.24619700  0.43106300  1
  P  P20  1  0.20511000  0.75380300  0.56893700  1
  P  P21  1  0.29489000  0.75380300  0.06893700  1
  P  P22  1  0.84521500  0.75641800  0.82112700  1
  P  P23  1  0.65478500  0.75641800  0.32112700  1
  O  O24  1  0.47539000  0.07070400  0.71114900  1
  O  O25  1  0.02461000  0.07070400  0.21114900  1
  O  O26  1  0.60571100  0.17900400  0.00812900  1
  O  O27  1  0.56548100  0.13488900  0.86848800  1
  O  O28  1  0.45431200  0.25325200  0.59775700  1
  O  O29  1  0.02264900  0.25096400  0.68557100  1
  O  O30  1  0.89428900  0.17900400  0.50812900  1
  O  O31  1  0.93451900  0.13488900  0.36848800  1
  O  O32  1  0.04568800  0.25325200  0.09775700  1
  O  O33  1  0.47735100  0.25096400  0.18557100  1
  O  O34  1  0.02773400  0.24024700  0.92237900  1
  O  O35  1  0.47226600  0.24024700  0.42237900  1
  O  O36  1  0.47045500  0.40992800  0.72209600  1
  O  O37  1  0.02954500  0.40992800  0.22209600  1
  O  O38  1  0.58678100  0.44274500  0.92061400  1
  O  O39  1  0.91321900  0.44274500  0.42061400  1
  O  O40  1  0.08678100  0.55725500  0.57938600  1
  O  O41  1  0.41321900  0.55725500  0.07938600  1
  O  O42  1  0.97045500  0.59007200  0.77790400  1
  O  O43  1  0.52954500  0.59007200  0.27790400  1
  O  O44  1  0.52773400  0.75975300  0.57762100  1
  O  O45  1  0.97226600  0.75975300  0.07762100  1
  O  O46  1  0.52264900  0.74903600  0.81442900  1
  O  O47  1  0.95431200  0.74674800  0.90224300  1
  O  O48  1  0.06548100  0.86511100  0.63151200  1
  O  O49  1  0.10571100  0.82099600  0.49187100  1
  O  O50  1  0.97735100  0.74903600  0.31442900  1
  O  O51  1  0.54568800  0.74674800  0.40224300  1
  O  O52  1  0.43451900  0.86511100  0.13151200  1
  O  O53  1  0.39428900  0.82099600  0.99187100  1
  O  O54  1  0.97539000  0.92929600  0.78885100  1
  O  O55  1  0.52461000  0.92929600  0.28885100  1
