# generated using pymatgen
data_LiFePO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.43141800
_cell_length_b   7.99080179
_cell_length_c   8.56640892
_cell_angle_alpha   104.10683454
_cell_angle_beta   90.00148488
_cell_angle_gamma   89.99984220
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFePO4
_chemical_formula_sum   'Li4 Fe4 P4 O16'
_cell_volume   360.58179778
_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  0.15246200  0.96604200  0.56943600  1
  Li  Li1  1  0.84754600  0.96605500  0.06943500  1
  Li  Li2  1  0.66369000  0.50039900  0.77968900  1
  Li  Li3  1  0.33630800  0.50038600  0.27967600  1
  Fe  Fe4  1  0.33659100  0.87027800  0.20180300  1
  Fe  Fe5  1  0.82674400  0.36175700  0.39161500  1
  Fe  Fe6  1  0.66320600  0.87043500  0.70193500  1
  Fe  Fe7  1  0.17336700  0.36176000  0.89158300  1
  P  P8  1  0.83012400  0.74179200  0.32824800  1
  P  P9  1  0.16988800  0.74178000  0.82823400  1
  P  P10  1  0.66979400  0.24649200  0.01263100  1
  P  P11  1  0.33023000  0.24644200  0.51261200  1
  O  O12  1  0.70411100  0.82517700  0.20215500  1
  O  O13  1  0.29592000  0.82519000  0.70217000  1
  O  O14  1  0.83372900  0.87431100  0.49589900  1
  O  O15  1  0.16626100  0.87428200  0.99588700  1
  O  O16  1  0.19183500  0.22014500  0.66347600  1
  O  O17  1  0.80814700  0.22014700  0.16349300  1
  O  O18  1  0.10202700  0.69528700  0.27553900  1
  O  O19  1  0.89796600  0.69532400  0.77553300  1
  O  O20  1  0.40857000  0.32303700  0.05968400  1
  O  O21  1  0.59145200  0.32299700  0.55969200  1
  O  O22  1  0.31962800  0.58126900  0.84256100  1
  O  O23  1  0.68039000  0.58127600  0.34257000  1
  O  O24  1  0.33678000  0.06136000  0.40183200  1
  O  O25  1  0.66318900  0.06143400  0.90184500  1
  O  O26  1  0.80825700  0.37140100  0.92919500  1
  O  O27  1  0.19178700  0.37135500  0.42917000  1
