# generated using pymatgen
data_LiFePO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.65516084
_cell_length_b   7.65516084
_cell_length_c   9.85071900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000726
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFePO4
_chemical_formula_sum   'Li6 Fe6 P6 O24'
_cell_volume   499.92766505
_cell_formula_units_Z   6
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  0.04639200  0.59325600  0.48360500  1
  Li  Li1  1  0.54686400  0.95360800  0.48360500  1
  Li  Li2  1  0.40674400  0.45313600  0.48360500  1
  Li  Li3  1  0.45313600  0.40674400  0.98360500  1
  Li  Li4  1  0.59325600  0.04639200  0.98360500  1
  Li  Li5  1  0.95360800  0.54686400  0.98360500  1
  Fe  Fe6  1  0.22800600  0.94465600  0.26000600  1
  Fe  Fe7  1  0.05534400  0.28335100  0.26000600  1
  Fe  Fe8  1  0.28335100  0.05534400  0.76000600  1
  Fe  Fe9  1  0.71664900  0.77199400  0.26000600  1
  Fe  Fe10  1  0.77199400  0.71664900  0.76000600  1
  Fe  Fe11  1  0.94465600  0.22800600  0.76000600  1
  P  P12  1  0.33333300  0.66666700  0.17042800  1
  P  P13  1  0.00000000  0.00000000  0.99553700  1
  P  P14  1  0.00000000  0.00000000  0.49553700  1
  P  P15  1  0.33333300  0.66666700  0.76438900  1
  P  P16  1  0.66666700  0.33333300  0.67042800  1
  P  P17  1  0.66666700  0.33333300  0.26438900  1
  O  O18  1  0.08765500  0.86820400  0.44453700  1
  O  O19  1  0.18714900  0.73845700  0.11797100  1
  O  O20  1  0.38444400  0.87734600  0.82230300  1
  O  O21  1  0.12265400  0.50709800  0.82230300  1
  O  O22  1  0.26154300  0.44869100  0.11797100  1
  O  O23  1  0.33333300  0.66666700  0.32760700  1
  O  O24  1  0.00000000  0.00000000  0.15816500  1
  O  O25  1  0.00000000  0.00000000  0.65816500  1
  O  O26  1  0.33333300  0.66666700  0.60817100  1
  O  O27  1  0.13179600  0.21945100  0.44453700  1
  O  O28  1  0.55130900  0.81285100  0.11797100  1
  O  O29  1  0.21945100  0.13179600  0.94453700  1
  O  O30  1  0.49290200  0.61555600  0.82230300  1
  O  O31  1  0.78054900  0.91234500  0.44453700  1
  O  O32  1  0.44869100  0.26154300  0.61797100  1
  O  O33  1  0.50709800  0.12265400  0.32230300  1
  O  O34  1  0.61555600  0.49290200  0.32230300  1
  O  O35  1  0.81285100  0.55130900  0.61797100  1
  O  O36  1  0.66666700  0.33333300  0.82760700  1
  O  O37  1  0.66666700  0.33333300  0.10817100  1
  O  O38  1  0.91234500  0.78054900  0.94453700  1
  O  O39  1  0.73845700  0.18714900  0.61797100  1
  O  O40  1  0.87734600  0.38444400  0.32230300  1
  O  O41  1  0.86820400  0.08765500  0.94453700  1
