# generated using pymatgen
data_LiFePO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18527711
_cell_length_b   9.63045783
_cell_length_c   6.13163658
_cell_angle_alpha   89.97991379
_cell_angle_beta   90.10218915
_cell_angle_gamma   84.37060332
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFePO4
_chemical_formula_sum   'Li4 Fe4 P4 O16'
_cell_volume   304.71580331
_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  0.15854600  0.92666300  0.63973600  1
  Li  Li1  1  0.34072800  0.57308700  0.14006300  1
  Li  Li2  1  0.65873900  0.42704900  0.86020600  1
  Li  Li3  1  0.84183000  0.07259800  0.35978900  1
  Fe  Fe4  1  0.29602900  0.16342400  0.11257900  1
  Fe  Fe5  1  0.70839700  0.83913400  0.88766500  1
  Fe  Fe6  1  0.20716400  0.33946000  0.61329000  1
  Fe  Fe7  1  0.79177600  0.66205600  0.38721500  1
  P  P8  1  0.25750500  0.63662800  0.64850600  1
  P  P9  1  0.24218300  0.86381700  0.14846600  1
  P  P10  1  0.75853500  0.13607100  0.85102900  1
  P  P11  1  0.74299300  0.36318100  0.35181500  1
  O  O12  1  0.00793200  0.74179000  0.66824000  1
  O  O13  1  0.50713900  0.24107800  0.83239600  1
  O  O14  1  0.49170600  0.75827900  0.16863900  1
  O  O15  1  0.99174800  0.25741800  0.33386300  1
  O  O16  1  0.00296600  0.77801000  0.13690600  1
  O  O17  1  0.50233300  0.27814800  0.36151000  1
  O  O18  1  0.49700200  0.72177700  0.63790200  1
  O  O19  1  0.99734400  0.22169500  0.86041600  1
  O  O20  1  0.21746200  0.55376000  0.43464800  1
  O  O21  1  0.28152800  0.94639000  0.93430500  1
  O  O22  1  0.72081300  0.05366800  0.06520500  1
  O  O23  1  0.78120800  0.44608600  0.56575900  1
  O  O24  1  0.28322700  0.52584900  0.83338700  1
  O  O25  1  0.21433300  0.97374100  0.33390500  1
  O  O26  1  0.78171400  0.02564600  0.66600300  1
  O  O27  1  0.71712200  0.47349600  0.16655600  1
