# generated using pymatgen
data_Li2FePO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.84509754
_cell_length_b   7.84510352
_cell_length_c   7.84508885
_cell_angle_alpha   70.83514212
_cell_angle_beta   110.08500959
_cell_angle_gamma   70.83445700
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2FePO5
_chemical_formula_sum   'Li8 Fe4 P4 O20'
_cell_volume   371.65123183
_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  0.00000000  0.74999900  0.75000100  1
  Li  Li1  1  0.50000000  0.75000200  0.24999900  1
  Li  Li2  1  0.24999900  0.25000000  0.00000000  1
  Li  Li3  1  0.75000000  0.25000000  0.50000000  1
  Li  Li4  1  0.50000100  0.24999800  0.75000300  1
  Li  Li5  1  0.99999900  0.25000200  0.24999700  1
  Li  Li6  1  0.25000000  0.75000100  0.49999900  1
  Li  Li7  1  0.75000000  0.75000100  0.00000000  1
  Fe  Fe8  1  0.28471400  0.49999000  0.28472500  1
  Fe  Fe9  1  0.21528500  0.00000100  0.71528700  1
  Fe  Fe10  1  0.78472800  0.50000400  0.78472600  1
  Fe  Fe11  1  0.71526700  0.00000500  0.21526800  1
  P  P12  1  0.99999500  0.00000200  0.00000200  1
  P  P13  1  0.50000600  0.99999400  0.50000000  1
  P  P14  1  0.99999700  0.50000600  0.50000100  1
  P  P15  1  0.50000400  0.49999600  0.99999700  1
  O  O16  1  0.08387000  0.50000100  0.08386800  1
  O  O17  1  0.58386200  0.50000000  0.58386200  1
  O  O18  1  0.41613600  0.00000000  0.91613200  1
  O  O19  1  0.91614100  0.99999900  0.41614000  1
  O  O20  1  0.00567900  0.19396100  0.00568500  1
  O  O21  1  0.50568100  0.19395800  0.50568500  1
  O  O22  1  0.69964500  0.80604300  0.69963900  1
  O  O23  1  0.19964600  0.80603800  0.19964100  1
  O  O24  1  0.49432100  0.99999300  0.30036200  1
  O  O25  1  0.99431900  0.99999600  0.80035200  1
  O  O26  1  0.00568200  0.50000500  0.69963800  1
  O  O27  1  0.50568100  0.50000600  0.19963900  1
  O  O28  1  0.49431800  0.30604100  0.99431600  1
  O  O29  1  0.99432100  0.30603400  0.49431500  1
  O  O30  1  0.30035100  0.69396400  0.80035500  1
  O  O31  1  0.80035700  0.69395800  0.30036400  1
  O  O32  1  0.19964800  0.49999400  0.50568500  1
  O  O33  1  0.69964200  0.49999600  0.00568600  1
  O  O34  1  0.80035800  0.00000700  0.99431400  1
  O  O35  1  0.30035100  0.00000500  0.49431700  1
