# generated using pymatgen
data_LiFePO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.10857600
_cell_length_b   13.70534600
_cell_length_c   18.19259266
_cell_angle_alpha   87.40342807
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFePO4
_chemical_formula_sum   'Li16 Fe16 P16 O64'
_cell_volume   1272.44298387
_cell_formula_units_Z   16
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  0.78964800  0.13756300  0.05933200  1
  Li  Li1  1  0.22069100  0.16912300  0.27535900  1
  Li  Li2  1  0.85689000  0.27450400  0.37797700  1
  Li  Li3  1  0.71408800  0.27284100  0.88482200  1
  Li  Li4  1  0.21408800  0.22715900  0.61517800  1
  Li  Li5  1  0.35689000  0.22549600  0.12202300  1
  Li  Li6  1  0.72069100  0.33087700  0.22464100  1
  Li  Li7  1  0.28964800  0.36243700  0.44066800  1
  Li  Li8  1  0.71035200  0.63756300  0.55933200  1
  Li  Li9  1  0.27930900  0.66912300  0.77535900  1
  Li  Li10  1  0.64311000  0.77450400  0.87797700  1
  Li  Li11  1  0.78591200  0.77284100  0.38482200  1
  Li  Li12  1  0.28591200  0.72715900  0.11517800  1
  Li  Li13  1  0.14311000  0.72549600  0.62202300  1
  Li  Li14  1  0.77930900  0.83087700  0.72464100  1
  Li  Li15  1  0.21035200  0.86243700  0.94066800  1
  Fe  Fe16  1  0.75698400  0.00683700  0.87708500  1
  Fe  Fe17  1  0.25038700  0.00468400  0.62448900  1
  Fe  Fe18  1  0.25459700  0.10802500  0.80972600  1
  Fe  Fe19  1  0.70308800  0.11275900  0.55088300  1
  Fe  Fe20  1  0.20308800  0.38724100  0.94911700  1
  Fe  Fe21  1  0.75459700  0.39197500  0.69027400  1
  Fe  Fe22  1  0.75038700  0.49531600  0.87551100  1
  Fe  Fe23  1  0.25698400  0.49316300  0.62291500  1
  Fe  Fe24  1  0.74301600  0.50683700  0.37708500  1
  Fe  Fe25  1  0.24961300  0.50468400  0.12448900  1
  Fe  Fe26  1  0.24540300  0.60802500  0.30972600  1
  Fe  Fe27  1  0.79691200  0.61275900  0.05088300  1
  Fe  Fe28  1  0.29691200  0.88724100  0.44911700  1
  Fe  Fe29  1  0.74540300  0.89197500  0.19027400  1
  Fe  Fe30  1  0.74961300  0.99531600  0.37551100  1
  Fe  Fe31  1  0.24301600  0.99316300  0.12291500  1
  P  P32  1  0.75584100  0.11351200  0.21677700  1
  P  P33  1  0.20006200  0.12181200  0.45570200  1
  P  P34  1  0.30958700  0.13312000  0.96523900  1
  P  P35  1  0.74653700  0.14154600  0.70760200  1
  P  P36  1  0.24653700  0.35845400  0.79239800  1
  P  P37  1  0.80958700  0.36688000  0.53476100  1
  P  P38  1  0.70006200  0.37818800  0.04429800  1
  P  P39  1  0.25584100  0.38648800  0.28322300  1
  P  P40  1  0.74415900  0.61351200  0.71677700  1
  P  P41  1  0.29993800  0.62181200  0.95570200  1
  P  P42  1  0.19041300  0.63312000  0.46523900  1
  P  P43  1  0.75346300  0.64154600  0.20760200  1
  P  P44  1  0.25346300  0.85845400  0.29239800  1
  P  P45  1  0.69041300  0.86688000  0.03476100  1
  P  P46  1  0.79993800  0.87818800  0.54429800  1
  P  P47  1  0.24415900  0.88648800  0.78322300  1
  O  O48  1  0.59089600  0.02657500  0.18888900  1
  O  O49  1  0.36856200  0.04558200  0.41638400  1
  O  O50  1  0.12546900  0.05944600  0.92723800  1
  O  O51  1  0.90917900  0.08610600  0.45639500  1
  O  O52  1  0.37738100  0.09738500  0.04645500  1
  O  O53  1  0.86872500  0.09206800  0.29523900  1
  O  O54  1  0.85419000  0.09288900  0.78086100  1
  O  O55  1  0.46124800  0.10884000  0.69162300  1
  O  O56  1  0.93029900  0.11218800  0.64294000  1
  O  O57  1  0.99707900  0.12881400  0.16462300  1
  O  O58  1  0.29590600  0.12272200  0.53862100  1
  O  O59  1  0.57189200  0.13869800  0.91992900  1
  O  O60  1  0.56213700  0.20027500  0.21868500  1
  O  O61  1  0.21223700  0.22430600  0.41982500  1
  O  O62  1  0.18057300  0.23396900  0.96731400  1
  O  O63  1  0.75668600  0.25213600  0.70942000  1
  O  O64  1  0.25668600  0.24786400  0.79058000  1
  O  O65  1  0.68057300  0.26603100  0.53268600  1
  O  O66  1  0.71223700  0.27569400  0.08017500  1
  O  O67  1  0.06213700  0.29972500  0.28131500  1
  O  O68  1  0.07189200  0.36130200  0.58007100  1
  O  O69  1  0.79590600  0.37727800  0.96137900  1
  O  O70  1  0.49707900  0.37118600  0.33537700  1
  O  O71  1  0.43029900  0.38781200  0.85706000  1
  O  O72  1  0.96124800  0.39116000  0.80837700  1
  O  O73  1  0.36872500  0.40793200  0.20476100  1
  O  O74  1  0.35419000  0.40711100  0.71913900  1
  O  O75  1  0.87738100  0.40261500  0.45354500  1
  O  O76  1  0.40917900  0.41389400  0.04360500  1
  O  O77  1  0.62546900  0.44055400  0.57276200  1
  O  O78  1  0.86856200  0.45441800  0.08361600  1
  O  O79  1  0.09089600  0.47342500  0.31111100  1
  O  O80  1  0.90910400  0.52657500  0.68888900  1
  O  O81  1  0.13143800  0.54558200  0.91638400  1
  O  O82  1  0.37453100  0.55944600  0.42723800  1
  O  O83  1  0.59082100  0.58610600  0.95639500  1
  O  O84  1  0.12261900  0.59738500  0.54645500  1
  O  O85  1  0.64581000  0.59288900  0.28086100  1
  O  O86  1  0.63127500  0.59206800  0.79523900  1
  O  O87  1  0.03875200  0.60884000  0.19162300  1
  O  O88  1  0.56970100  0.61218800  0.14294000  1
  O  O89  1  0.50292100  0.62881400  0.66462300  1
  O  O90  1  0.20409400  0.62272200  0.03862100  1
  O  O91  1  0.92810800  0.63869800  0.41992900  1
  O  O92  1  0.93786300  0.70027500  0.71868500  1
  O  O93  1  0.28776300  0.72430600  0.91982500  1
  O  O94  1  0.31942700  0.73396900  0.46731400  1
  O  O95  1  0.74331400  0.75213600  0.20942000  1
  O  O96  1  0.24331400  0.74786400  0.29058000  1
  O  O97  1  0.81942700  0.76603100  0.03268600  1
  O  O98  1  0.78776300  0.77569400  0.58017500  1
  O  O99  1  0.43786300  0.79972500  0.78131500  1
  O  O100  1  0.42810800  0.86130200  0.08007100  1
  O  O101  1  0.70409400  0.87727800  0.46137900  1
  O  O102  1  0.00292100  0.87118600  0.83537700  1
  O  O103  1  0.06970100  0.88781200  0.35706000  1
  O  O104  1  0.53875200  0.89116000  0.30837700  1
  O  O105  1  0.14581000  0.90711100  0.21913900  1
  O  O106  1  0.13127500  0.90793200  0.70476100  1
  O  O107  1  0.62261900  0.90261500  0.95354500  1
  O  O108  1  0.09082100  0.91389400  0.54360500  1
  O  O109  1  0.87453100  0.94055400  0.07276200  1
  O  O110  1  0.63143800  0.95441800  0.58361600  1
  O  O111  1  0.40910400  0.97342500  0.81111100  1
