# generated using pymatgen
data_LiFe2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.70664862
_cell_length_b   8.70664833
_cell_length_c   6.40962434
_cell_angle_alpha   74.81545191
_cell_angle_beta   105.18453924
_cell_angle_gamma   84.64957620
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2(PO4)3
_chemical_formula_sum   'Li2 Fe4 P6 O24'
_cell_volume   445.66572396
_cell_formula_units_Z   2
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  0.71537400  0.71537400  0.75000000  1
  Li  Li1  1  0.28462600  0.28462600  0.25000000  1
  Fe  Fe2  1  0.35912700  0.93844000  0.11987900  1
  Fe  Fe3  1  0.06156000  0.64087300  0.61987900  1
  Fe  Fe4  1  0.93844000  0.35912700  0.38012100  1
  Fe  Fe5  1  0.64087300  0.06156000  0.88012100  1
  P  P6  1  0.66096100  0.13028100  0.37978300  1
  P  P7  1  0.86971900  0.33903900  0.87978300  1
  P  P8  1  0.33903900  0.86971900  0.62021700  1
  P  P9  1  0.70987500  0.70987500  0.25000000  1
  P  P10  1  0.29012500  0.29012500  0.75000000  1
  P  P11  1  0.13028100  0.66096100  0.12021700  1
  O  O12  1  0.39390100  0.94413500  0.81875200  1
  O  O13  1  0.74772200  0.53552000  0.23566800  1
  O  O14  1  0.82429400  0.17045100  0.89553900  1
  O  O15  1  0.47180100  0.72411300  0.66422800  1
  O  O16  1  0.72411300  0.47180100  0.83577200  1
  O  O17  1  0.82954900  0.17570600  0.39553900  1
  O  O18  1  0.00749600  0.66467200  0.89472900  1
  O  O19  1  0.99250400  0.33532800  0.10527100  1
  O  O20  1  0.27588700  0.52819900  0.16422800  1
  O  O21  1  0.05586500  0.60609900  0.31875200  1
  O  O22  1  0.60609900  0.05586500  0.18124800  1
  O  O23  1  0.94413500  0.39390100  0.68124800  1
  O  O24  1  0.82499600  0.72860300  0.46917000  1
  O  O25  1  0.33532800  0.99250400  0.39472900  1
  O  O26  1  0.25227800  0.46448000  0.76433200  1
  O  O27  1  0.72860300  0.82499600  0.03083000  1
  O  O28  1  0.46448000  0.25227800  0.73566800  1
  O  O29  1  0.53552000  0.74772200  0.26433200  1
  O  O30  1  0.66467200  0.00749600  0.60527100  1
  O  O31  1  0.27139700  0.17500400  0.96917000  1
  O  O32  1  0.17045100  0.82429400  0.60446100  1
  O  O33  1  0.17500400  0.27139700  0.53083000  1
  O  O34  1  0.17570600  0.82954900  0.10446100  1
  O  O35  1  0.52819900  0.27588700  0.33577200  1
