# generated using pymatgen
data_LiFe2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.61814598
_cell_length_b   8.61814598
_cell_length_c   8.72383402
_cell_angle_alpha   59.96477970
_cell_angle_beta   59.96477970
_cell_angle_gamma   60.52057042
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2(PO4)3
_chemical_formula_sum   'Li2 Fe4 P6 O24'
_cell_volume   459.69138616
_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  0.50000000  0.00000000  0.00000000  1
  Li  Li1  1  0.00000000  0.50000000  0.50000000  1
  Fe  Fe2  1  0.63895500  0.14034300  0.14869700  1
  Fe  Fe3  1  0.36104500  0.85965700  0.85130300  1
  Fe  Fe4  1  0.85965700  0.36104500  0.35130300  1
  Fe  Fe5  1  0.14034300  0.63895500  0.64869700  1
  P  P6  1  0.74524600  0.55002400  0.96495000  1
  P  P7  1  0.55002400  0.74524600  0.46495000  1
  P  P8  1  0.95844400  0.04155600  0.75000000  1
  P  P9  1  0.44997600  0.25475400  0.53505000  1
  P  P10  1  0.04155600  0.95844400  0.25000000  1
  P  P11  1  0.25475400  0.44997600  0.03505000  1
  O  O12  1  0.55820200  0.90477700  0.27032500  1
  O  O13  1  0.81041200  0.52687000  0.11250000  1
  O  O14  1  0.76650000  0.06215300  0.91478900  1
  O  O15  1  0.25586700  0.41521000  0.55790100  1
  O  O16  1  0.09522300  0.44179800  0.22967500  1
  O  O17  1  0.67972700  0.38568000  0.02504000  1
  O  O18  1  0.38568000  0.67972700  0.52504000  1
  O  O19  1  0.23350000  0.93784700  0.08521100  1
  O  O20  1  0.44179800  0.09522300  0.72967500  1
  O  O21  1  0.87679800  0.99075500  0.20198900  1
  O  O22  1  0.06215300  0.76650000  0.41478900  1
  O  O23  1  0.32027300  0.61432000  0.97496000  1
  O  O24  1  0.12320200  0.00924500  0.79801100  1
  O  O25  1  0.47313000  0.18958800  0.38750000  1
  O  O26  1  0.18958800  0.47313000  0.88750000  1
  O  O27  1  0.99075500  0.87679800  0.70198900  1
  O  O28  1  0.58479000  0.74413300  0.94209900  1
  O  O29  1  0.74413300  0.58479000  0.44209900  1
  O  O30  1  0.00924500  0.12320200  0.29801100  1
  O  O31  1  0.93784700  0.23350000  0.58521100  1
  O  O32  1  0.61432000  0.32027300  0.47496000  1
  O  O33  1  0.90477700  0.55820200  0.77032500  1
  O  O34  1  0.41521000  0.25586700  0.05790100  1
  O  O35  1  0.52687000  0.81041200  0.61250000  1
