# generated using pymatgen
data_Li2FePO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.51919200
_cell_length_b   9.07458600
_cell_length_c   9.18727800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2FePO5
_chemical_formula_sum   'Li8 Fe4 P4 O20'
_cell_volume   376.76840075
_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  0.58682000  0.00000000  0.00125500  1
  Li  Li1  1  0.41318000  0.00000000  0.50125500  1
  Li  Li2  1  0.00702900  0.25369400  0.00170700  1
  Li  Li3  1  0.99297100  0.25369400  0.50170700  1
  Li  Li4  1  0.00654900  0.50000000  0.26012200  1
  Li  Li5  1  0.99345100  0.50000000  0.76012200  1
  Li  Li6  1  0.00702900  0.74630600  0.00170700  1
  Li  Li7  1  0.99297100  0.74630600  0.50170700  1
  Fe  Fe8  1  0.96679300  0.00000000  0.28433900  1
  Fe  Fe9  1  0.03320700  0.00000000  0.78433900  1
  Fe  Fe10  1  0.44748900  0.50000000  0.99709800  1
  Fe  Fe11  1  0.55251100  0.50000000  0.49709800  1
  P  P12  1  0.50217400  0.24853200  0.24787900  1
  P  P13  1  0.49782600  0.24853200  0.74787900  1
  P  P14  1  0.50217400  0.75146800  0.24787900  1
  P  P15  1  0.49782600  0.75146800  0.74787900  1
  O  O16  1  0.83175800  0.00000000  0.46937600  1
  O  O17  1  0.16824200  0.00000000  0.96937600  1
  O  O18  1  0.72160100  0.15035600  0.16081900  1
  O  O19  1  0.27839900  0.15035600  0.66081900  1
  O  O20  1  0.28348100  0.15469100  0.33852000  1
  O  O21  1  0.71651900  0.15469100  0.83852000  1
  O  O22  1  0.31173400  0.34573400  0.14503400  1
  O  O23  1  0.68826600  0.34573400  0.64503400  1
  O  O24  1  0.69442800  0.34754700  0.34804300  1
  O  O25  1  0.30557200  0.34754700  0.84804300  1
  O  O26  1  0.15303000  0.50000000  0.49286800  1
  O  O27  1  0.84697000  0.50000000  0.99286800  1
  O  O28  1  0.30557200  0.65245300  0.84804300  1
  O  O29  1  0.69442800  0.65245300  0.34804300  1
  O  O30  1  0.31173400  0.65426600  0.14503400  1
  O  O31  1  0.68826600  0.65426600  0.64503400  1
  O  O32  1  0.28348100  0.84530900  0.33852000  1
  O  O33  1  0.71651900  0.84530900  0.83852000  1
  O  O34  1  0.27839900  0.84964400  0.66081900  1
  O  O35  1  0.72160100  0.84964400  0.16081900  1
