# generated using pymatgen
data_LiFePO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.81624800
_cell_length_b   8.89536100
_cell_length_c   17.65568877
_cell_angle_alpha   60.69961767
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFePO4
_chemical_formula_sum   'Li12 Fe12 P12 O48'
_cell_volume   1070.52282329
_cell_formula_units_Z   12
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  0.00535900  0.78414100  0.92913200  1
  Li  Li1  1  0.98843000  0.15488200  0.58141400  1
  Li  Li2  1  0.15586400  0.49865200  0.24971900  1
  Li  Li3  1  0.65586400  0.50134800  0.25028100  1
  Li  Li4  1  0.48843000  0.84511800  0.91858600  1
  Li  Li5  1  0.50535900  0.21585900  0.57086800  1
  Li  Li6  1  0.49464100  0.78414100  0.42913200  1
  Li  Li7  1  0.51157000  0.15488200  0.08141400  1
  Li  Li8  1  0.34413600  0.49865200  0.74971900  1
  Li  Li9  1  0.84413600  0.50134800  0.75028100  1
  Li  Li10  1  0.01157000  0.84511800  0.41858600  1
  Li  Li11  1  0.99464100  0.21585900  0.07086800  1
  Fe  Fe12  1  0.66879200  0.13656600  0.40666900  1
  Fe  Fe13  1  0.83193000  0.81146400  0.76897500  1
  Fe  Fe14  1  0.66784100  0.52742500  0.07545300  1
  Fe  Fe15  1  0.16784100  0.47257500  0.42454700  1
  Fe  Fe16  1  0.33193000  0.18853600  0.73102500  1
  Fe  Fe17  1  0.16879200  0.86343400  0.09333100  1
  Fe  Fe18  1  0.83120800  0.13656600  0.90666900  1
  Fe  Fe19  1  0.66807000  0.81146400  0.26897500  1
  Fe  Fe20  1  0.83215900  0.52742500  0.57545300  1
  Fe  Fe21  1  0.33215900  0.47257500  0.92454700  1
  Fe  Fe22  1  0.16807000  0.18853600  0.23102500  1
  Fe  Fe23  1  0.33120800  0.86343400  0.59333100  1
  P  P24  1  0.24724500  0.14171000  0.40666500  1
  P  P25  1  0.24342500  0.80617000  0.77551100  1
  P  P26  1  0.25063700  0.54719000  0.07057500  1
  P  P27  1  0.75063700  0.45281000  0.42942500  1
  P  P28  1  0.74342500  0.19383000  0.72448900  1
  P  P29  1  0.74724500  0.85829000  0.09333500  1
  P  P30  1  0.25275500  0.14171000  0.90666500  1
  P  P31  1  0.25657500  0.80617000  0.27551100  1
  P  P32  1  0.24936300  0.54719000  0.57057500  1
  P  P33  1  0.74936300  0.45281000  0.92942500  1
  P  P34  1  0.75657500  0.19383000  0.22448900  1
  P  P35  1  0.75275500  0.85829000  0.59333500  1
  O  O36  1  0.42399300  0.07688400  0.39412300  1
  O  O37  1  0.88709100  0.92112700  0.63690200  1
  O  O38  1  0.38482800  0.73703000  0.84684500  1
  O  O39  1  0.20794200  0.07299200  0.50482000  1
  O  O40  1  0.79828700  0.57321400  0.96716600  1
  O  O41  1  0.74042200  0.28499600  0.28047100  1
  O  O42  1  0.24888600  0.43540000  0.17159600  1
  O  O43  1  0.07017400  0.76167600  0.82519100  1
  O  O44  1  0.42988800  0.62904500  0.03679400  1
  O  O45  1  0.25640900  0.00154000  0.70960600  1
  O  O46  1  0.12236700  0.69865400  0.04145400  1
  O  O47  1  0.23803200  0.34267500  0.36137200  1
  O  O48  1  0.73803200  0.65732500  0.13862800  1
  O  O49  1  0.62236700  0.30134600  0.45854600  1
  O  O50  1  0.75640900  0.99846000  0.79039400  1
  O  O51  1  0.92988800  0.37095500  0.46320600  1
  O  O52  1  0.57017400  0.23832400  0.67480900  1
  O  O53  1  0.74888600  0.56460000  0.32840400  1
  O  O54  1  0.24042200  0.71500400  0.21952900  1
  O  O55  1  0.29828700  0.42678600  0.53283400  1
  O  O56  1  0.70794200  0.92700800  0.99518000  1
  O  O57  1  0.88482800  0.26297000  0.65315500  1
  O  O58  1  0.38709100  0.07887300  0.86309800  1
  O  O59  1  0.92399300  0.92311600  0.10587700  1
  O  O60  1  0.07600700  0.07688400  0.89412300  1
  O  O61  1  0.61290900  0.92112700  0.13690200  1
  O  O62  1  0.11517200  0.73703000  0.34684500  1
  O  O63  1  0.29205800  0.07299200  0.00482000  1
  O  O64  1  0.70171300  0.57321400  0.46716600  1
  O  O65  1  0.75957800  0.28499600  0.78047100  1
  O  O66  1  0.25111400  0.43540000  0.67159600  1
  O  O67  1  0.42982600  0.76167600  0.32519100  1
  O  O68  1  0.07011200  0.62904500  0.53679400  1
  O  O69  1  0.24359100  0.00154000  0.20960600  1
  O  O70  1  0.37763300  0.69865400  0.54145400  1
  O  O71  1  0.26196800  0.34267500  0.86137200  1
  O  O72  1  0.76196800  0.65732500  0.63862800  1
  O  O73  1  0.74359100  0.99846000  0.29039400  1
  O  O74  1  0.87763300  0.30134600  0.95854600  1
  O  O75  1  0.57011200  0.37095500  0.96320600  1
  O  O76  1  0.92982600  0.23832400  0.17480900  1
  O  O77  1  0.75111400  0.56460000  0.82840400  1
  O  O78  1  0.25957800  0.71500400  0.71952900  1
  O  O79  1  0.20171300  0.42678600  0.03283400  1
  O  O80  1  0.79205800  0.92700800  0.49518000  1
  O  O81  1  0.61517200  0.26297000  0.15315500  1
  O  O82  1  0.11290900  0.07887300  0.36309800  1
  O  O83  1  0.57600700  0.92311600  0.60587700  1
