# generated using pymatgen
data_Li2FePO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.60831500
_cell_length_b   4.88632300
_cell_length_c   16.55680578
_cell_angle_alpha   73.32552488
_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   434.64446683
_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  0.57703800  0.59194000  0.41107000  1
  Li  Li1  1  0.08671200  0.91027600  0.09332500  1
  Li  Li2  1  0.09281400  0.49329200  0.51006600  1
  Li  Li3  1  0.42393200  0.19365500  0.30617600  1
  Li  Li4  1  0.91328800  0.91027600  0.59332500  1
  Li  Li5  1  0.42296200  0.59194000  0.91107000  1
  Li  Li6  1  0.90718600  0.49329200  0.01006600  1
  Li  Li7  1  0.57606800  0.19365500  0.80617600  1
  Fe  Fe8  1  0.08149500  0.70805500  0.29769200  1
  Fe  Fe9  1  0.58434400  0.81000900  0.19708100  1
  Fe  Fe10  1  0.91850500  0.70805500  0.79769200  1
  Fe  Fe11  1  0.41565600  0.81000900  0.69708100  1
  P  P12  1  0.08476300  0.11143000  0.90155000  1
  P  P13  1  0.59010100  0.40857600  0.59629300  1
  P  P14  1  0.91523700  0.11143000  0.40155000  1
  P  P15  1  0.40989900  0.40857600  0.09629300  1
  O  O16  1  0.92380700  0.29138300  0.82531900  1
  O  O17  1  0.47978100  0.43824000  0.68236400  1
  O  O18  1  0.91119200  0.87102700  0.19989800  1
  O  O19  1  0.41138200  0.79288900  0.29848700  1
  O  O20  1  0.84565200  0.51994900  0.58779800  1
  O  O21  1  0.34120300  0.21849800  0.88872100  1
  O  O22  1  0.97188400  0.12559400  0.98418200  1
  O  O23  1  0.43069000  0.55477600  0.52151400  1
  O  O24  1  0.92885500  0.79074300  0.39509200  1
  O  O25  1  0.40888000  0.07430500  0.10958700  1
  O  O26  1  0.07619300  0.29138300  0.32531900  1
  O  O27  1  0.52021900  0.43824000  0.18236400  1
  O  O28  1  0.08880800  0.87102700  0.69989800  1
  O  O29  1  0.58861800  0.79288900  0.79848700  1
  O  O30  1  0.65879700  0.21849800  0.38872100  1
  O  O31  1  0.15434800  0.51994900  0.08779800  1
  O  O32  1  0.02811600  0.12559400  0.48418200  1
  O  O33  1  0.56931000  0.55477600  0.02151400  1
  O  O34  1  0.07114500  0.79074300  0.89509200  1
  O  O35  1  0.59112000  0.07430500  0.60958700  1
