# generated using pymatgen
data_LiFePO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94256003
_cell_length_b   7.46420302
_cell_length_c   9.24799107
_cell_angle_alpha   89.99450866
_cell_angle_beta   89.98742935
_cell_angle_gamma   89.99719656
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFePO4
_chemical_formula_sum   'Li4 Fe4 P4 O16'
_cell_volume   341.17938691
_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  0.91787100  0.13022500  0.01753700  1
  Li  Li1  1  0.08205300  0.63025300  0.48244500  1
  Li  Li2  1  0.58205600  0.86961400  0.51750700  1
  Li  Li3  1  0.41793500  0.36964400  0.98254400  1
  Fe  Fe4  1  0.17176800  0.23144900  0.62501500  1
  Fe  Fe5  1  0.82873400  0.73127200  0.87468700  1
  Fe  Fe6  1  0.32902000  0.76866400  0.12529600  1
  Fe  Fe7  1  0.67112200  0.26871200  0.37456000  1
  P  P8  1  0.86547400  0.50215600  0.16239500  1
  P  P9  1  0.13432600  0.00214400  0.33762300  1
  P  P10  1  0.63444400  0.49786600  0.66242300  1
  P  P11  1  0.36570800  0.99783800  0.83763600  1
  O  O12  1  0.71150200  0.66846000  0.09735700  1
  O  O13  1  0.28827400  0.16848000  0.40260800  1
  O  O14  1  0.78837900  0.33152800  0.59741500  1
  O  O15  1  0.21160400  0.83150600  0.90263600  1
  O  O16  1  0.72428200  0.32292900  0.12220600  1
  O  O17  1  0.27568200  0.82301100  0.37783600  1
  O  O18  1  0.77568200  0.67704100  0.62216200  1
  O  O19  1  0.22437900  0.17695200  0.87783400  1
  O  O20  1  0.15739400  0.51421000  0.10248100  1
  O  O21  1  0.84237300  0.01417100  0.39768800  1
  O  O22  1  0.34261400  0.48584000  0.60241700  1
  O  O23  1  0.65776900  0.98583000  0.89761800  1
  O  O24  1  0.14217400  0.00900300  0.16964600  1
  O  O25  1  0.85747700  0.50898000  0.33033800  1
  O  O26  1  0.35783300  0.99111600  0.66968700  1
  O  O27  1  0.64207300  0.49110400  0.83040200  1
