# generated using pymatgen
data_LiFePO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16150047
_cell_length_b   10.59493392
_cell_length_c   8.99934831
_cell_angle_alpha   112.67636757
_cell_angle_beta   89.56583986
_cell_angle_gamma   100.94815824
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFePO4
_chemical_formula_sum   'Li4 Fe4 P4 O16'
_cell_volume   444.65596941
_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  0.11776100  0.23608200  0.12093500  1
  Li  Li1  1  0.61819900  0.23599900  0.62113600  1
  Li  Li2  1  0.87413400  0.73462700  0.85895700  1
  Li  Li3  1  0.37430400  0.73491500  0.35919800  1
  Fe  Fe4  1  0.56596000  0.11874100  0.23651400  1
  Fe  Fe5  1  0.82544000  0.61671300  0.14091400  1
  Fe  Fe6  1  0.06739600  0.11831900  0.73589800  1
  Fe  Fe7  1  0.32549000  0.61693800  0.64117100  1
  P  P8  1  0.88200500  0.76033700  0.54018000  1
  P  P9  1  0.38303100  0.76010100  0.04015800  1
  P  P10  1  0.12321700  0.26118300  0.46918500  1
  P  P11  1  0.62365600  0.26067700  0.96878100  1
  O  O12  1  0.71762200  0.69917600  0.65266600  1
  O  O13  1  0.21782900  0.69949900  0.15276900  1
  O  O14  1  0.72224000  0.70943400  0.37467100  1
  O  O15  1  0.22254400  0.71001200  0.87497700  1
  O  O16  1  0.93554600  0.92002700  0.61922400  1
  O  O17  1  0.44135700  0.91972300  0.11968800  1
  O  O18  1  0.81993300  0.19774000  0.43675800  1
  O  O19  1  0.31986400  0.19819300  0.93638400  1
  O  O20  1  0.14557600  0.70598300  0.51222800  1
  O  O21  1  0.64516500  0.70446900  0.01111400  1
  O  O22  1  0.16128300  0.41990900  0.55786000  1
  O  O23  1  0.66241800  0.41950400  0.05722100  1
  O  O24  1  0.24830700  0.19791600  0.57463400  1
  O  O25  1  0.74762600  0.19747000  0.07476300  1
  O  O26  1  0.25602800  0.22279900  0.30579200  1
  O  O27  1  0.75548700  0.22115800  0.80503900  1
