# generated using pymatgen
data_LiFePO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94459929
_cell_length_b   7.28895102
_cell_length_c   9.93482744
_cell_angle_alpha   89.99529204
_cell_angle_beta   89.47886091
_cell_angle_gamma   89.99408773
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFePO4
_chemical_formula_sum   'Li4 Fe4 P4 O16'
_cell_volume   358.04572577
_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  0.50011700  0.00058100  0.25002900  1
  Li  Li1  1  0.49977200  0.00072200  0.75002000  1
  Li  Li2  1  0.99993100  0.50042300  0.49994400  1
  Li  Li3  1  0.00009300  0.50056100  0.00000500  1
  Fe  Fe4  1  0.99998400  0.99998800  0.50022200  1
  Fe  Fe5  1  0.50029800  0.50066800  0.24984000  1
  Fe  Fe6  1  0.00010900  0.00032500  0.00013300  1
  Fe  Fe7  1  0.49993500  0.50065000  0.74990500  1
  P  P8  1  0.49993900  0.24977400  0.49987500  1
  P  P9  1  0.50016500  0.24965200  0.00001600  1
  P  P10  1  0.99968800  0.74972800  0.75003600  1
  P  P11  1  0.00018100  0.74981100  0.25004800  1
  O  O12  1  0.31772700  0.12815100  0.09235200  1
  O  O13  1  0.31755300  0.12804800  0.59205300  1
  O  O14  1  0.81790500  0.62808900  0.34225900  1
  O  O15  1  0.81760200  0.62819500  0.84249100  1
  O  O16  1  0.31712700  0.37168600  0.40967900  1
  O  O17  1  0.31709600  0.37154800  0.90990200  1
  O  O18  1  0.81602400  0.87138100  0.66001100  1
  O  O19  1  0.81698200  0.87153600  0.15988400  1
  O  O20  1  0.68232500  0.12778500  0.40790700  1
  O  O21  1  0.68239200  0.12804800  0.90766500  1
  O  O22  1  0.18206600  0.62835200  0.65756900  1
  O  O23  1  0.18236400  0.62820000  0.15771600  1
  O  O24  1  0.68279800  0.37156800  0.59014700  1
  O  O25  1  0.68345700  0.37140700  0.09011600  1
  O  O26  1  0.18298400  0.87156100  0.84002400  1
  O  O27  1  0.18339000  0.87155900  0.34015200  1
