# generated using pymatgen
data_LiFePO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.40608832
_cell_length_b   6.74012796
_cell_length_c   14.14303805
_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   610.66604618
_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  0.24126600  0.20924251  0.20962707  1
  Li  Li1  1  0.74126600  0.20924251  0.29037293  1
  Li  Li2  1  0.74126600  0.29075749  0.79037293  1
  Li  Li3  1  0.24126600  0.29075749  0.70962707  1
  Li  Li4  1  0.25873400  0.70924251  0.20962707  1
  Li  Li5  1  0.75873400  0.70924251  0.29037293  1
  Li  Li6  1  0.25873400  0.79075749  0.70962707  1
  Li  Li7  1  0.75873400  0.79075749  0.79037293  1
  Fe  Fe8  1  0.44987853  0.16920393  0.51193375  1
  Fe  Fe9  1  0.94987853  0.16920393  0.98806625  1
  Fe  Fe10  1  0.44987853  0.33079607  0.01193375  1
  Fe  Fe11  1  0.94987853  0.33079607  0.48806625  1
  Fe  Fe12  1  0.05012147  0.66920393  0.51193375  1
  Fe  Fe13  1  0.55012147  0.66920393  0.98806625  1
  Fe  Fe14  1  0.05012147  0.83079607  0.01193375  1
  Fe  Fe15  1  0.55012147  0.83079607  0.48806625  1
  P  P16  1  0.89611805  0.02974518  0.63114064  1
  P  P17  1  0.39611805  0.02974518  0.86885936  1
  P  P18  1  0.89611805  0.47025482  0.13114064  1
  P  P19  1  0.39611805  0.47025482  0.36885936  1
  P  P20  1  0.60388195  0.52974518  0.63114064  1
  P  P21  1  0.10388195  0.52974518  0.86885936  1
  P  P22  1  0.60388195  0.97025482  0.13114064  1
  P  P23  1  0.10388195  0.97025482  0.36885936  1
  O  O24  1  0.75991117  0.96547056  0.04427592  1
  O  O25  1  0.25991117  0.96547056  0.45572408  1
  O  O26  1  0.28753204  0.04281516  0.77513226  1
  O  O27  1  0.78753204  0.04281516  0.72486774  1
  O  O28  1  0.47792668  0.16378852  0.12421354  1
  O  O29  1  0.97792668  0.16378852  0.37578646  1
  O  O30  1  0.03955603  0.21063357  0.61190263  1
  O  O31  1  0.53955603  0.21063357  0.88809737  1
  O  O32  1  0.03955603  0.28936643  0.11190263  1
  O  O33  1  0.53955603  0.28936643  0.38809737  1
  O  O34  1  0.47792668  0.33621148  0.62421354  1
  O  O35  1  0.97792668  0.33621148  0.87578646  1
  O  O36  1  0.78753204  0.45718484  0.22486774  1
  O  O37  1  0.28753204  0.45718484  0.27513226  1
  O  O38  1  0.75991117  0.53452944  0.54427592  1
  O  O39  1  0.25991117  0.53452944  0.95572408  1
  O  O40  1  0.24008883  0.46547056  0.45572408  1
  O  O41  1  0.74008883  0.46547056  0.04427592  1
  O  O42  1  0.71246796  0.54281516  0.72486774  1
  O  O43  1  0.21246796  0.54281516  0.77513226  1
  O  O44  1  0.02207332  0.66378852  0.12421354  1
  O  O45  1  0.52207332  0.66378852  0.37578646  1
  O  O46  1  0.46044397  0.71063357  0.61190263  1
  O  O47  1  0.96044397  0.71063357  0.88809737  1
  O  O48  1  0.46044397  0.78936643  0.11190263  1
  O  O49  1  0.96044397  0.78936643  0.38809737  1
  O  O50  1  0.02207332  0.83621148  0.62421354  1
  O  O51  1  0.52207332  0.83621148  0.87578646  1
  O  O52  1  0.71246796  0.95718484  0.22486774  1
  O  O53  1  0.21246796  0.95718484  0.27513226  1
  O  O54  1  0.74008883  0.03452944  0.54427592  1
  O  O55  1  0.24008883  0.03452944  0.95572408  1
