# generated using pymatgen
data_LiFePO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.96455450
_cell_length_b   6.66033184
_cell_length_c   9.55617025
_cell_angle_alpha   71.76641061
_cell_angle_beta   97.35891551
_cell_angle_gamma   100.51929268
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFePO4
_chemical_formula_sum   'Li4 Fe4 P4 O16'
_cell_volume   353.48115129
_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  0.59847700  0.19156300  0.27856800  1
  Li  Li1  1  0.40162700  0.81065100  0.72116000  1
  Li  Li2  1  0.43703900  0.33059000  0.67856700  1
  Li  Li3  1  0.55897100  0.67270100  0.32094500  1
  Fe  Fe4  1  0.01382000  0.93351400  0.28383700  1
  Fe  Fe5  1  0.79666500  0.35528300  0.93212500  1
  Fe  Fe6  1  0.98707400  0.06487200  0.71679300  1
  Fe  Fe7  1  0.20436600  0.64609000  0.06651700  1
  P  P8  1  0.16334800  0.28563200  0.38486600  1
  P  P9  1  0.83529100  0.71467800  0.61480200  1
  P  P10  1  0.28735600  0.18203100  0.00888000  1
  P  P11  1  0.71434000  0.81722500  0.99154000  1
  O  O12  1  0.53569500  0.25820000  0.06315000  1
  O  O13  1  0.46650000  0.74055100  0.93692500  1
  O  O14  1  0.31137300  0.12616500  0.36734400  1
  O  O15  1  0.68873300  0.87523300  0.63225700  1
  O  O16  1  0.91774000  0.21247100  0.32544000  1
  O  O17  1  0.08157000  0.78573800  0.67446400  1
  O  O18  1  0.79448800  0.04616000  0.88717100  1
  O  O19  1  0.20783300  0.95303300  0.11358500  1
  O  O20  1  0.12932300  0.33710900  0.02205900  1
  O  O21  1  0.87258000  0.66242100  0.97820300  1
  O  O22  1  0.17227300  0.27796800  0.55040600  1
  O  O23  1  0.82554700  0.72135000  0.44954200  1
  O  O24  1  0.27892300  0.17921500  0.84752800  1
  O  O25  1  0.72213500  0.81861300  0.15313100  1
  O  O26  1  0.73745600  0.48068100  0.70349200  1
  O  O27  1  0.25945600  0.52026400  0.29670600  1
