# generated using pymatgen
data_LiFePO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13892071
_cell_length_b   8.75970394
_cell_length_c   8.57255360
_cell_angle_alpha   106.89944333
_cell_angle_beta   89.95375158
_cell_angle_gamma   89.96572450
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFePO4
_chemical_formula_sum   'Li4 Fe4 P4 O16'
_cell_volume   369.23245073
_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  0.81757200  0.98731900  0.11799700  1
  Li  Li1  1  0.18197600  0.98715300  0.61803500  1
  Li  Li2  1  0.31261800  0.49591800  0.23763500  1
  Li  Li3  1  0.68757400  0.49545700  0.73723000  1
  Fe  Fe4  1  0.32266500  0.24632200  0.48064800  1
  Fe  Fe5  1  0.81138300  0.74164800  0.36078000  1
  Fe  Fe6  1  0.67733400  0.24625800  0.98045600  1
  Fe  Fe7  1  0.18819400  0.74136500  0.86084500  1
  P  P8  1  0.30428800  0.86752900  0.24302300  1
  P  P9  1  0.69551600  0.86736400  0.74311100  1
  P  P10  1  0.80666000  0.36632900  0.34874700  1
  P  P11  1  0.19365500  0.36588400  0.84877100  1
  O  O12  1  0.17343300  0.89115000  0.08799100  1
  O  O13  1  0.82622500  0.89132300  0.58808800  1
  O  O14  1  0.32368000  0.35550800  0.00907000  1
  O  O15  1  0.67542000  0.35575800  0.50874300  1
  O  O16  1  0.60309700  0.84950800  0.21734100  1
  O  O17  1  0.39674600  0.84952400  0.71788100  1
  O  O18  1  0.19362800  0.71629400  0.28043400  1
  O  O19  1  0.80666300  0.71570900  0.77969100  1
  O  O20  1  0.73210100  0.21588200  0.20813000  1
  O  O21  1  0.27018100  0.21534400  0.70845400  1
  O  O22  1  0.69737900  0.51253400  0.30014300  1
  O  O23  1  0.30253600  0.51196300  0.80005800  1
  O  O24  1  0.10609400  0.38210800  0.37168900  1
  O  O25  1  0.89387900  0.38140700  0.87109000  1
  O  O26  1  0.23363700  0.01276800  0.39062500  1
  O  O27  1  0.76586600  0.01227100  0.89089700  1
