# generated using pymatgen
data_LiFePO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.45769900
_cell_length_b   7.14821100
_cell_length_c   7.49504600
_cell_angle_alpha   90.00000000
_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   345.97878113
_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  0.00000000  0.00000000  1
  Li  Li1  1  0.50000000  0.00000000  0.00000000  1
  Li  Li2  1  0.00000000  0.50000000  0.50000000  1
  Li  Li3  1  0.50000000  0.50000000  0.50000000  1
  Fe  Fe4  1  0.25000000  0.14327600  0.72833500  1
  Fe  Fe5  1  0.75000000  0.35672400  0.22833500  1
  Fe  Fe6  1  0.25000000  0.64327600  0.77166500  1
  Fe  Fe7  1  0.75000000  0.85672400  0.27166500  1
  P  P8  1  0.75000000  0.12505900  0.62692700  1
  P  P9  1  0.25000000  0.37494100  0.12692700  1
  P  P10  1  0.75000000  0.62505900  0.87307300  1
  P  P11  1  0.25000000  0.87494100  0.37307300  1
  O  O12  1  0.25000000  0.05618400  0.48285200  1
  O  O13  1  0.75000000  0.10465700  0.16632500  1
  O  O14  1  0.56042900  0.13007700  0.75386600  1
  O  O15  1  0.93957100  0.13007700  0.75386600  1
  O  O16  1  0.25000000  0.19935200  0.00382400  1
  O  O17  1  0.75000000  0.30064800  0.50382400  1
  O  O18  1  0.06042900  0.36992300  0.25386600  1
  O  O19  1  0.43957100  0.36992300  0.25386600  1
  O  O20  1  0.25000000  0.39534300  0.66632500  1
  O  O21  1  0.75000000  0.44381600  0.98285200  1
  O  O22  1  0.25000000  0.55618400  0.01714800  1
  O  O23  1  0.75000000  0.60465700  0.33367500  1
  O  O24  1  0.56042900  0.63007700  0.74613400  1
  O  O25  1  0.93957100  0.63007700  0.74613400  1
  O  O26  1  0.25000000  0.69935200  0.49617600  1
  O  O27  1  0.75000000  0.80064800  0.99617600  1
  O  O28  1  0.06042900  0.86992300  0.24613400  1
  O  O29  1  0.43957100  0.86992300  0.24613400  1
  O  O30  1  0.25000000  0.89534300  0.83367500  1
  O  O31  1  0.75000000  0.94381600  0.51714800  1
