# generated using pymatgen
data_LiFePO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97094800
_cell_length_b   6.31792500
_cell_length_c   9.39610600
_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   295.09482518
_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  0.97574200  0.75000000  0.16882900  1
  Li  Li1  1  0.47574200  0.25000000  0.33117100  1
  Li  Li2  1  0.52425800  0.75000000  0.66882900  1
  Li  Li3  1  0.02425800  0.25000000  0.83117100  1
  Fe  Fe4  1  0.50000000  0.00000000  0.00000000  1
  Fe  Fe5  1  0.50000000  0.50000000  0.00000000  1
  Fe  Fe6  1  0.00000000  0.00000000  0.50000000  1
  Fe  Fe7  1  0.00000000  0.50000000  0.50000000  1
  P  P8  1  0.97128600  0.25000000  0.17778200  1
  P  P9  1  0.47128600  0.75000000  0.32221800  1
  P  P10  1  0.52871400  0.25000000  0.67778200  1
  P  P11  1  0.02871400  0.75000000  0.82221800  1
  O  O12  1  0.83979000  0.04706300  0.11755200  1
  O  O13  1  0.83979000  0.45293700  0.11755200  1
  O  O14  1  0.27739100  0.25000000  0.13975300  1
  O  O15  1  0.41528600  0.75000000  0.15675800  1
  O  O16  1  0.91528600  0.25000000  0.34324200  1
  O  O17  1  0.77739100  0.75000000  0.36024700  1
  O  O18  1  0.33979000  0.54706300  0.38244800  1
  O  O19  1  0.33979000  0.95293700  0.38244800  1
  O  O20  1  0.66021000  0.04706300  0.61755200  1
  O  O21  1  0.66021000  0.45293700  0.61755200  1
  O  O22  1  0.22260900  0.25000000  0.63975300  1
  O  O23  1  0.08471400  0.75000000  0.65675800  1
  O  O24  1  0.58471400  0.25000000  0.84324200  1
  O  O25  1  0.72260900  0.75000000  0.86024700  1
  O  O26  1  0.16021000  0.54706300  0.88244800  1
  O  O27  1  0.16021000  0.95293700  0.88244800  1
