# generated using pymatgen
data_Li3FePO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98073800
_cell_length_b   5.52206700
_cell_length_c   15.90947300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3FePO5
_chemical_formula_sum   'Li12 Fe4 P4 O20'
_cell_volume   437.57365133
_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  0.00609200  0.65928200  0.59344500  1
  Li  Li1  1  0.00609200  0.15928200  0.90655500  1
  Li  Li2  1  0.00650300  0.66908000  0.00292400  1
  Li  Li3  1  0.00650300  0.16908000  0.49707600  1
  Li  Li4  1  0.49264200  0.33039800  0.80389800  1
  Li  Li5  1  0.49264200  0.83039800  0.69610200  1
  Li  Li6  1  0.50609200  0.34071800  0.40655500  1
  Li  Li7  1  0.50609200  0.84071800  0.09344500  1
  Li  Li8  1  0.50650300  0.33092000  0.99707600  1
  Li  Li9  1  0.50650300  0.83092000  0.50292400  1
  Li  Li10  1  0.99264200  0.16960200  0.30389800  1
  Li  Li11  1  0.99264200  0.66960200  0.19610200  1
  Fe  Fe12  1  0.01443500  0.16893400  0.70480500  1
  Fe  Fe13  1  0.01443500  0.66893400  0.79519500  1
  Fe  Fe14  1  0.51443500  0.33106600  0.20480500  1
  Fe  Fe15  1  0.51443500  0.83106600  0.29519500  1
  P  P16  1  0.99936400  0.16527700  0.09808600  1
  P  P17  1  0.99936400  0.66527700  0.40191400  1
  P  P18  1  0.49936400  0.33472300  0.59808600  1
  P  P19  1  0.49936400  0.83472300  0.90191400  1
  O  O20  1  0.10185300  0.33109700  0.80962100  1
  O  O21  1  0.10185300  0.83109700  0.69037900  1
  O  O22  1  0.10719100  0.31018500  0.02083900  1
  O  O23  1  0.10719100  0.81018500  0.47916100  1
  O  O24  1  0.10146700  0.39957200  0.40217600  1
  O  O25  1  0.10146700  0.89957200  0.09782400  1
  O  O26  1  0.09017200  0.29456700  0.18154300  1
  O  O27  1  0.09017200  0.79456700  0.31845700  1
  O  O28  1  0.18407900  0.33133500  0.59477100  1
  O  O29  1  0.18407900  0.83133500  0.90522900  1
  O  O30  1  0.60185300  0.16890300  0.30962100  1
  O  O31  1  0.60185300  0.66890300  0.19037900  1
  O  O32  1  0.60719100  0.18981500  0.52083900  1
  O  O33  1  0.60719100  0.68981500  0.97916100  1
  O  O34  1  0.60146700  0.10042800  0.90217600  1
  O  O35  1  0.60146700  0.60042800  0.59782400  1
  O  O36  1  0.59017200  0.20543300  0.68154300  1
  O  O37  1  0.59017200  0.70543300  0.81845700  1
  O  O38  1  0.68407900  0.16866500  0.09477100  1
  O  O39  1  0.68407900  0.66866500  0.40522900  1
