# generated using pymatgen
data_LiFePO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87846500
_cell_length_b   8.07826300
_cell_length_c   16.99989400
_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   669.95771880
_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  0.94191600  0.03387600  0.44288600  1
  Li  Li1  1  0.47121000  0.12918600  0.86532800  1
  Li  Li2  1  0.97121000  0.37081400  0.36532800  1
  Li  Li3  1  0.44191600  0.46612400  0.94288600  1
  Li  Li4  1  0.94191600  0.53387600  0.05711400  1
  Li  Li5  1  0.47121000  0.62918600  0.63467200  1
  Li  Li6  1  0.97121000  0.87081400  0.13467200  1
  Li  Li7  1  0.44191600  0.96612400  0.55711400  1
  Fe  Fe8  1  0.60079200  0.06865300  0.28271900  1
  Fe  Fe9  1  0.48228300  0.15416100  0.05609600  1
  Fe  Fe10  1  0.98228300  0.34583900  0.55609600  1
  Fe  Fe11  1  0.10079200  0.43134700  0.78271900  1
  Fe  Fe12  1  0.60079200  0.56865300  0.21728100  1
  Fe  Fe13  1  0.48228300  0.65416100  0.44390400  1
  Fe  Fe14  1  0.98228300  0.84583900  0.94390400  1
  Fe  Fe15  1  0.10079200  0.93134700  0.71728100  1
  P  P16  1  0.94424000  0.24640500  0.17927800  1
  P  P17  1  0.42958700  0.25213300  0.43886600  1
  P  P18  1  0.92958700  0.24786700  0.93886600  1
  P  P19  1  0.44424000  0.25359500  0.67927800  1
  P  P20  1  0.94424000  0.74640500  0.32072200  1
  P  P21  1  0.42958700  0.75213300  0.06113400  1
  P  P22  1  0.92958700  0.74786700  0.56113400  1
  P  P23  1  0.44424000  0.75359500  0.82072200  1
  O  O24  1  0.77430300  0.09285800  0.14811000  1
  O  O25  1  0.27763200  0.12252600  0.48906900  1
  O  O26  1  0.78586100  0.07907300  0.95852600  1
  O  O27  1  0.31665900  0.08814400  0.64969700  1
  O  O28  1  0.24691700  0.23227600  0.15494500  1
  O  O29  1  0.74417300  0.25573800  0.45515100  1
  O  O30  1  0.89953200  0.24386600  0.26952100  1
  O  O31  1  0.87606600  0.28247300  0.85048600  1
  O  O32  1  0.37606600  0.21752700  0.35048600  1
  O  O33  1  0.39953200  0.25613400  0.76952100  1
  O  O34  1  0.24417300  0.24426200  0.95515100  1
  O  O35  1  0.74691700  0.26772400  0.65494500  1
  O  O36  1  0.81665900  0.41185600  0.14969700  1
  O  O37  1  0.28586100  0.42092700  0.45852600  1
  O  O38  1  0.77763200  0.37747400  0.98906900  1
  O  O39  1  0.27430300  0.40714200  0.64811000  1
  O  O40  1  0.77430300  0.59285800  0.35189000  1
  O  O41  1  0.27763200  0.62252600  0.01093100  1
  O  O42  1  0.78586100  0.57907300  0.54147400  1
  O  O43  1  0.31665900  0.58814400  0.85030300  1
  O  O44  1  0.24691700  0.73227600  0.34505500  1
  O  O45  1  0.74417300  0.75573800  0.04484900  1
  O  O46  1  0.89953200  0.74386600  0.23047900  1
  O  O47  1  0.87606600  0.78247300  0.64951400  1
  O  O48  1  0.37606600  0.71752700  0.14951400  1
  O  O49  1  0.39953200  0.75613400  0.73047900  1
  O  O50  1  0.24417300  0.74426200  0.54484900  1
  O  O51  1  0.74691700  0.76772400  0.84505500  1
  O  O52  1  0.81665900  0.91185600  0.35030300  1
  O  O53  1  0.28586100  0.92092700  0.04147400  1
  O  O54  1  0.77763200  0.87747400  0.51093100  1
  O  O55  1  0.27430300  0.90714200  0.85189000  1
