# generated using pymatgen
data_LiFePO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.65995212
_cell_length_b   6.29747737
_cell_length_c   9.21601028
_cell_angle_alpha   103.47308365
_cell_angle_beta   82.53230075
_cell_angle_gamma   103.76904247
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFePO4
_chemical_formula_sum   'Li4 Fe4 P4 O16'
_cell_volume   309.30288236
_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  0.34412100  0.36931000  0.10989600  1
  Li  Li1  1  0.65478200  0.63488100  0.88857200  1
  Li  Li2  1  0.88767600  0.46263600  0.25100200  1
  Li  Li3  1  0.11005100  0.53200400  0.74840600  1
  Fe  Fe4  1  0.33720000  0.07213300  0.80159900  1
  Fe  Fe5  1  0.77176300  0.82964200  0.58558200  1
  Fe  Fe6  1  0.67153900  0.92377200  0.20082900  1
  Fe  Fe7  1  0.23380000  0.17320800  0.41398700  1
  P  P8  1  0.18856000  0.82169000  0.07504700  1
  P  P9  1  0.80962900  0.17995900  0.92525700  1
  P  P10  1  0.30398800  0.69125900  0.44720200  1
  P  P11  1  0.69671500  0.30825700  0.55316300  1
  O  O12  1  0.39026300  0.68768600  0.07418100  1
  O  O13  1  0.61297800  0.31943300  0.92628000  1
  O  O14  1  0.93504600  0.70895000  0.13850700  1
  O  O15  1  0.06591700  0.28693900  0.86287600  1
  O  O16  1  0.82805200  0.16542100  0.08962100  1
  O  O17  1  0.16379100  0.83068500  0.91003800  1
  O  O18  1  0.27894100  0.06060400  0.17121500  1
  O  O19  1  0.71084600  0.94351100  0.82651800  1
  O  O20  1  0.11989300  0.83985900  0.44755700  1
  O  O21  1  0.88446000  0.16306800  0.55218000  1
  O  O22  1  0.56579600  0.79618700  0.38450100  1
  O  O23  1  0.43735000  0.20213500  0.61770500  1
  O  O24  1  0.20625200  0.46018400  0.34439800  1
  O  O25  1  0.79377800  0.54111400  0.65408200  1
  O  O26  1  0.65603900  0.31792000  0.39254300  1
  O  O27  1  0.34077600  0.67755100  0.60725600  1
