# generated using pymatgen
data_LiFePO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.22129600
_cell_length_b   7.22153900
_cell_length_c   7.22211500
_cell_angle_alpha   90.00064263
_cell_angle_beta   89.99963504
_cell_angle_gamma   90.00111872
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFePO4
_chemical_formula_sum   'Li4 Fe4 P4 O16'
_cell_volume   376.62514122
_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  0.69699500  0.80299000  0.19699500  1
  Li  Li1  1  0.30300600  0.30300500  0.30301600  1
  Li  Li2  1  0.80300200  0.19700800  0.69698200  1
  Li  Li3  1  0.19698100  0.69700400  0.80300500  1
  Fe  Fe4  1  0.74616700  0.74613700  0.74613900  1
  Fe  Fe5  1  0.25384500  0.24614600  0.75386200  1
  Fe  Fe6  1  0.75385900  0.25384600  0.24610700  1
  Fe  Fe7  1  0.24615700  0.75386800  0.25388600  1
  P  P8  1  0.03300200  0.03298600  0.03299700  1
  P  P9  1  0.53299200  0.46702300  0.96700200  1
  P  P10  1  0.96699900  0.53297200  0.46700100  1
  P  P11  1  0.46700600  0.96701600  0.53300000  1
  O  O12  1  0.15378300  0.15383900  0.15381400  1
  O  O13  1  0.84618400  0.65380600  0.34620800  1
  O  O14  1  0.34614400  0.84620400  0.65377600  1
  O  O15  1  0.65379900  0.34621100  0.84617300  1
  O  O16  1  0.60536500  0.67228800  0.97051700  1
  O  O17  1  0.52950500  0.39465600  0.17225100  1
  O  O18  1  0.82772300  0.02948000  0.10533000  1
  O  O19  1  0.17227900  0.52951700  0.39467000  1
  O  O20  1  0.47051800  0.89467600  0.32774100  1
  O  O21  1  0.39466500  0.17228800  0.52950100  1
  O  O22  1  0.89465000  0.32770000  0.47048200  1
  O  O23  1  0.97048400  0.60528100  0.67227000  1
  O  O24  1  0.67227200  0.97048500  0.60536800  1
  O  O25  1  0.32771400  0.47050100  0.89466500  1
  O  O26  1  0.02950000  0.10533100  0.82774400  1
  O  O27  1  0.10540300  0.82773500  0.02949600  1
