# generated using pymatgen
data_LiFePO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15377600
_cell_length_b   11.26452100
_cell_length_c   6.20647400
_cell_angle_alpha   89.99952732
_cell_angle_beta   89.99949296
_cell_angle_gamma   89.99806696
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFePO4
_chemical_formula_sum   'Li4 Fe4 P4 O16'
_cell_volume   360.31571826
_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  0.24795900  0.17344700  0.52403700  1
  Li  Li1  1  0.74792900  0.32656000  0.02399700  1
  Li  Li2  1  0.24795800  0.67341000  0.97599500  1
  Li  Li3  1  0.74791300  0.82658400  0.47599500  1
  Fe  Fe4  1  0.74205900  0.58310400  0.71753700  1
  Fe  Fe5  1  0.24206100  0.91690200  0.21754000  1
  Fe  Fe6  1  0.74206200  0.08309400  0.78242400  1
  Fe  Fe7  1  0.24205700  0.41690300  0.28244500  1
  P  P8  1  0.25044800  0.17101800  0.02621600  1
  P  P9  1  0.75045000  0.32898200  0.52620000  1
  P  P10  1  0.25041700  0.67103900  0.47379300  1
  P  P11  1  0.75045500  0.82896100  0.97380100  1
  O  O12  1  0.18888400  0.09314700  0.22948500  1
  O  O13  1  0.68884200  0.40686100  0.72944700  1
  O  O14  1  0.18883900  0.59315400  0.27054700  1
  O  O15  1  0.68885900  0.90684300  0.77055600  1
  O  O16  1  0.13651700  0.11150700  0.81945800  1
  O  O17  1  0.63651400  0.38848000  0.31942700  1
  O  O18  1  0.13650000  0.61153200  0.68055900  1
  O  O19  1  0.63651800  0.88846700  0.18056100  1
  O  O20  1  0.63107900  0.20322800  0.55414400  1
  O  O21  1  0.13103900  0.29677300  0.05414500  1
  O  O22  1  0.63106800  0.70320600  0.94586600  1
  O  O23  1  0.13100800  0.79678900  0.44584900  1
  O  O24  1  0.54899700  0.18048100  0.00353200  1
  O  O25  1  0.04900400  0.31952600  0.50354000  1
  O  O26  1  0.54896500  0.68050900  0.49645100  1
  O  O27  1  0.04900700  0.81949300  0.99645600  1
