# generated using pymatgen
data_LiFePO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.98618700
_cell_length_b   7.04978500
_cell_length_c   7.26558810
_cell_angle_alpha   61.79963503
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFePO5
_chemical_formula_sum   'Li4 Fe4 P4 O20'
_cell_volume   360.50401710
_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  0.56238200  0.27944400  0.25219300  1
  Li  Li1  1  0.93761800  0.77944400  0.25219300  1
  Li  Li2  1  0.06238200  0.22055600  0.74780700  1
  Li  Li3  1  0.43761800  0.72055600  0.74780700  1
  Fe  Fe4  1  0.24648400  0.49989800  0.24991900  1
  Fe  Fe5  1  0.25351600  0.99989800  0.24991900  1
  Fe  Fe6  1  0.74648400  0.00010200  0.75008100  1
  Fe  Fe7  1  0.75351600  0.50010200  0.75008100  1
  P  P8  1  0.60827100  0.74851200  0.25039800  1
  P  P9  1  0.10827100  0.75148800  0.74960200  1
  P  P10  1  0.89172900  0.24851200  0.25039800  1
  P  P11  1  0.39172900  0.25148800  0.74960200  1
  O  O12  1  0.32227900  0.25126900  0.24950900  1
  O  O13  1  0.00073400  0.42298900  0.26331800  1
  O  O14  1  0.73501800  0.84776100  0.06497300  1
  O  O15  1  0.76405200  0.15218200  0.43510500  1
  O  O16  1  0.50037100  0.57152700  0.23956700  1
  O  O17  1  0.17772100  0.75126900  0.24950900  1
  O  O18  1  0.49926600  0.92298900  0.26331800  1
  O  O19  1  0.76498200  0.34776100  0.06497300  1
  O  O20  1  0.00037100  0.92847300  0.76043300  1
  O  O21  1  0.26405200  0.34781800  0.56489500  1
  O  O22  1  0.73594800  0.65218200  0.43510500  1
  O  O23  1  0.99962900  0.07152700  0.23956700  1
  O  O24  1  0.23501800  0.65223900  0.93502700  1
  O  O25  1  0.50073400  0.07701100  0.73668200  1
  O  O26  1  0.82227900  0.24873100  0.75049100  1
  O  O27  1  0.49962900  0.42847300  0.76043300  1
  O  O28  1  0.23594800  0.84781800  0.56489500  1
  O  O29  1  0.26498200  0.15223900  0.93502700  1
  O  O30  1  0.99926600  0.57701100  0.73668200  1
  O  O31  1  0.67772100  0.74873100  0.75049100  1
