# generated using pymatgen
data_LiFePO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.43721155
_cell_length_b   7.43721155
_cell_length_c   9.61615200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999595
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFePO4
_chemical_formula_sum   'Li6 Fe6 P6 O24'
_cell_volume   460.63002028
_cell_formula_units_Z   6
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  0.20641000  0.94879200  0.25876100  1
  Li  Li1  1  0.94879200  0.20641000  0.75876100  1
  Li  Li2  1  0.79359000  0.74238200  0.75876100  1
  Li  Li3  1  0.74238200  0.79359000  0.25876100  1
  Li  Li4  1  0.25761800  0.05120800  0.75876100  1
  Li  Li5  1  0.05120800  0.25761800  0.25876100  1
  Fe  Fe6  1  0.92707500  0.52332400  0.98550100  1
  Fe  Fe7  1  0.59624900  0.07292500  0.98550100  1
  Fe  Fe8  1  0.47667600  0.40375100  0.98550100  1
  Fe  Fe9  1  0.40375100  0.47667600  0.48550100  1
  Fe  Fe10  1  0.52332400  0.92707500  0.48550100  1
  Fe  Fe11  1  0.07292500  0.59624900  0.48550100  1
  P  P12  1  0.33333300  0.66666700  0.17744100  1
  P  P13  1  0.00000000  0.00000000  0.50713900  1
  P  P14  1  0.33333300  0.66666700  0.78693300  1
  P  P15  1  0.00000000  0.00000000  0.00713900  1
  P  P16  1  0.66666700  0.33333300  0.28693300  1
  P  P17  1  0.66666700  0.33333300  0.67744100  1
  O  O18  1  0.54964300  0.83885700  0.12943600  1
  O  O19  1  0.66666700  0.33333300  0.11855700  1
  O  O20  1  0.89799900  0.77449300  0.94905000  1
  O  O21  1  0.83885700  0.54964300  0.62943600  1
  O  O22  1  0.71078600  0.16114300  0.62943600  1
  O  O23  1  0.88590100  0.38528900  0.33249900  1
  O  O24  1  0.10200100  0.87649300  0.44905000  1
  O  O25  1  0.16114300  0.71078600  0.12943600  1
  O  O26  1  0.11409900  0.49938700  0.83249900  1
  O  O27  1  0.38528900  0.88590100  0.83249900  1
  O  O28  1  0.33333300  0.66666700  0.34378700  1
  O  O29  1  0.66666700  0.33333300  0.84378700  1
  O  O30  1  0.33333300  0.66666700  0.61855700  1
  O  O31  1  0.12350700  0.22550700  0.44905000  1
  O  O32  1  0.28921400  0.45035700  0.12943600  1
  O  O33  1  0.00000000  0.00000000  0.66752300  1
  O  O34  1  0.22550700  0.12350700  0.94905000  1
  O  O35  1  0.50061300  0.61471100  0.83249900  1
  O  O36  1  0.45035700  0.28921400  0.62943600  1
  O  O37  1  0.77449300  0.89799900  0.44905000  1
  O  O38  1  0.61471100  0.50061300  0.33249900  1
  O  O39  1  0.49938700  0.11409900  0.33249900  1
  O  O40  1  0.00000000  0.00000000  0.16752300  1
  O  O41  1  0.87649300  0.10200100  0.94905000  1
