# generated using pymatgen
data_LiFePO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23006237
_cell_length_b   7.84570192
_cell_length_c   8.37390656
_cell_angle_alpha   94.84713267
_cell_angle_beta   91.28157353
_cell_angle_gamma   77.55903219
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFePO4
_chemical_formula_sum   'Li4 Fe4 P4 O16'
_cell_volume   334.33921793
_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  0.26987200  0.18496600  0.89742200  1
  Li  Li1  1  0.31682900  0.67283100  0.57045500  1
  Li  Li2  1  0.68316800  0.32717400  0.42955800  1
  Li  Li3  1  0.73009300  0.81502300  0.10258500  1
  Fe  Fe4  1  0.16681100  0.94893600  0.30124200  1
  Fe  Fe5  1  0.17923200  0.44522100  0.22426100  1
  Fe  Fe6  1  0.82087500  0.55481300  0.77569800  1
  Fe  Fe7  1  0.83319400  0.05107300  0.69875400  1
  P  P8  1  0.24242200  0.28163800  0.56324100  1
  P  P9  1  0.23461900  0.79169300  0.91415000  1
  P  P10  1  0.76538000  0.20829200  0.08585700  1
  P  P11  1  0.75758000  0.71837000  0.43675200  1
  O  O12  1  0.06462700  0.16885600  0.47270900  1
  O  O13  1  0.01496100  0.28516500  0.07011000  1
  O  O14  1  0.11834900  0.34359100  0.73131300  1
  O  O15  1  0.26288000  0.43991900  0.46736300  1
  O  O16  1  0.16259700  0.96356200  0.82663900  1
  O  O17  1  0.43670000  0.65749200  0.80837400  1
  O  O18  1  0.35185900  0.82946300  0.08159000  1
  O  O19  1  0.52747700  0.17961200  0.57963200  1
  O  O20  1  0.47251600  0.82040000  0.42037600  1
  O  O21  1  0.64812200  0.17051100  0.91842500  1
  O  O22  1  0.56329100  0.34248500  0.19163300  1
  O  O23  1  0.83740100  0.03642800  0.17336300  1
  O  O24  1  0.73712400  0.56008600  0.53263600  1
  O  O25  1  0.88163200  0.65640800  0.26868200  1
  O  O26  1  0.98501000  0.71483600  0.92989600  1
  O  O27  1  0.93537700  0.83115400  0.52728600  1
