# generated using pymatgen
data_LiFePO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.30991700
_cell_length_b   8.16069800
_cell_length_c   8.51297773
_cell_angle_alpha   75.09806204
_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   356.48297937
_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  0.34015600  0.12991300  0.21246600  1
  Li  Li1  1  0.82481400  0.63423800  0.38390600  1
  Li  Li2  1  0.65984400  0.12991300  0.71246600  1
  Li  Li3  1  0.17518600  0.63423800  0.88390600  1
  Fe  Fe4  1  0.84563600  0.03400700  0.07478700  1
  Fe  Fe5  1  0.32466200  0.51275000  0.26171900  1
  Fe  Fe6  1  0.15436400  0.03400700  0.57478700  1
  Fe  Fe7  1  0.67533800  0.51275000  0.76171900  1
  P  P8  1  0.67560400  0.74882400  0.00797900  1
  P  P9  1  0.82526300  0.26154800  0.33350600  1
  P  P10  1  0.32439600  0.74882400  0.50797900  1
  P  P11  1  0.17473700  0.26154800  0.83350600  1
  O  O12  1  0.18817000  0.12836600  0.00185700  1
  O  O13  1  0.40128100  0.68197400  0.04821100  1
  O  O14  1  0.70181300  0.18578000  0.20167800  1
  O  O15  1  0.11138600  0.29753400  0.29446500  1
  O  O16  1  0.80570200  0.77238400  0.16504600  1
  O  O17  1  0.68128400  0.42311900  0.34189800  1
  O  O18  1  0.81183000  0.12836600  0.50185700  1
  O  O19  1  0.18081900  0.62060700  0.43421500  1
  O  O20  1  0.31563400  0.93015600  0.39206600  1
  O  O21  1  0.59871900  0.68197400  0.54821100  1
  O  O22  1  0.29818700  0.18578000  0.70167800  1
  O  O23  1  0.88861400  0.29753400  0.79446500  1
  O  O24  1  0.19429800  0.77238400  0.66504600  1
  O  O25  1  0.31871600  0.42311900  0.84189800  1
  O  O26  1  0.81918100  0.62060700  0.93421500  1
  O  O27  1  0.68436600  0.93015600  0.89206600  1
