# generated using pymatgen
data_LiFePO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12852300
_cell_length_b   6.86097900
_cell_length_c   10.33047800
_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   363.49531252
_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  0.24440300  0.00141300  0.14752200  1
  Li  Li1  1  0.74440300  0.50141300  0.35247800  1
  Li  Li2  1  0.24440300  0.49858700  0.64752200  1
  Li  Li3  1  0.74440300  0.99858700  0.85247800  1
  Fe  Fe4  1  0.24591400  0.50165600  0.16186100  1
  Fe  Fe5  1  0.74591400  0.00165600  0.33813900  1
  Fe  Fe6  1  0.24591400  0.99834400  0.66186100  1
  Fe  Fe7  1  0.74591400  0.49834400  0.83813900  1
  P  P8  1  0.74963200  0.25535300  0.09700000  1
  P  P9  1  0.24963200  0.75535300  0.40300000  1
  P  P10  1  0.74963200  0.24464700  0.59700000  1
  P  P11  1  0.24963200  0.74464700  0.90300000  1
  O  O12  1  0.19962200  0.74343300  0.05118600  1
  O  O13  1  0.04768700  0.25064800  0.12680100  1
  O  O14  1  0.62226800  0.06925700  0.15441700  1
  O  O15  1  0.63653100  0.44148500  0.16267000  1
  O  O16  1  0.13653100  0.94148500  0.33733000  1
  O  O17  1  0.12226800  0.56925700  0.34558300  1
  O  O18  1  0.54768700  0.75064800  0.37319900  1
  O  O19  1  0.69962200  0.24343300  0.44881400  1
  O  O20  1  0.19962200  0.75656700  0.55118600  1
  O  O21  1  0.04768700  0.24935200  0.62680100  1
  O  O22  1  0.62226800  0.43074300  0.65441700  1
  O  O23  1  0.63653100  0.05851500  0.66267000  1
  O  O24  1  0.13653100  0.55851500  0.83733000  1
  O  O25  1  0.12226800  0.93074300  0.84558300  1
  O  O26  1  0.54768700  0.74935200  0.87319900  1
  O  O27  1  0.69962200  0.25656700  0.94881400  1
