# generated using pymatgen
data_LiFePO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.90014600
_cell_length_b   8.74640000
_cell_length_c   17.49855811
_cell_angle_alpha   61.11808874
_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   1058.71954564
_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  0.99144700  0.27358200  0.93575400  1
  Li  Li1  1  0.01063100  0.64345400  0.58534400  1
  Li  Li2  1  0.87131200  0.00388100  0.24549600  1
  Li  Li3  1  0.37131200  0.99611900  0.25450400  1
  Li  Li4  1  0.51063100  0.35654600  0.91465600  1
  Li  Li5  1  0.49144700  0.72641800  0.56424600  1
  Li  Li6  1  0.50855300  0.27358200  0.43575400  1
  Li  Li7  1  0.48936900  0.64345400  0.08534400  1
  Li  Li8  1  0.62868800  0.00388100  0.74549600  1
  Li  Li9  1  0.12868800  0.99611900  0.75450400  1
  Li  Li10  1  0.98936900  0.35654600  0.41465600  1
  Li  Li11  1  0.00855300  0.72641800  0.06424600  1
  Fe  Fe12  1  0.66875000  0.64884600  0.40316300  1
  Fe  Fe13  1  0.82375500  0.31005300  0.76573000  1
  Fe  Fe14  1  0.66835000  0.02078900  0.08067500  1
  Fe  Fe15  1  0.16835000  0.97921100  0.41932500  1
  Fe  Fe16  1  0.32375500  0.68994700  0.73427000  1
  Fe  Fe17  1  0.16875000  0.35115400  0.09683700  1
  Fe  Fe18  1  0.83125000  0.64884600  0.90316300  1
  Fe  Fe19  1  0.67624500  0.31005300  0.26573000  1
  Fe  Fe20  1  0.83165000  0.02078900  0.58067500  1
  Fe  Fe21  1  0.33165000  0.97921100  0.91932500  1
  Fe  Fe22  1  0.17624500  0.68994700  0.23427000  1
  Fe  Fe23  1  0.33125000  0.35115400  0.59683700  1
  P  P24  1  0.26049200  0.63864000  0.40950500  1
  P  P25  1  0.22470700  0.30851300  0.77521000  1
  P  P26  1  0.26594900  0.04070300  0.07237000  1
  P  P27  1  0.76594900  0.95929700  0.42763000  1
  P  P28  1  0.72470700  0.69148700  0.72479000  1
  P  P29  1  0.76049200  0.36136000  0.09049500  1
  P  P30  1  0.23950800  0.63864000  0.90950500  1
  P  P31  1  0.27529300  0.30851300  0.27521000  1
  P  P32  1  0.23405100  0.04070300  0.57237000  1
  P  P33  1  0.73405100  0.95929700  0.92763000  1
  P  P34  1  0.77529300  0.69148700  0.22479000  1
  P  P35  1  0.73950800  0.36136000  0.59049500  1
  O  O36  1  0.56865200  0.43611200  0.60234200  1
  O  O37  1  0.87967100  0.41612200  0.63496400  1
  O  O38  1  0.78080800  0.08568200  0.96365000  1
  O  O39  1  0.05442500  0.25520000  0.82652200  1
  O  O40  1  0.36830900  0.24599800  0.84442200  1
  O  O41  1  0.75899300  0.78773200  0.28027000  1
  O  O42  1  0.21874400  0.57125700  0.50766600  1
  O  O43  1  0.27968600  0.93040500  0.17376300  1
  O  O44  1  0.43811200  0.13342200  0.03533700  1
  O  O45  1  0.23051200  0.50649000  0.70953900  1
  O  O46  1  0.26916800  0.84201800  0.36432900  1
  O  O47  1  0.12827200  0.18336700  0.04598400  1
  O  O48  1  0.62827200  0.81663300  0.45401600  1
  O  O49  1  0.76916800  0.15798200  0.13567100  1
  O  O50  1  0.73051200  0.49351000  0.79046100  1
  O  O51  1  0.93811200  0.86657800  0.46466300  1
  O  O52  1  0.77968600  0.06959500  0.32623700  1
  O  O53  1  0.71874400  0.42874300  0.99233400  1
  O  O54  1  0.86830900  0.75400200  0.65557800  1
  O  O55  1  0.25899300  0.21226800  0.21973000  1
  O  O56  1  0.55442500  0.74480000  0.67347800  1
  O  O57  1  0.28080800  0.91431800  0.53635000  1
  O  O58  1  0.37967100  0.58387800  0.86503600  1
  O  O59  1  0.06865200  0.56388800  0.89765800  1
  O  O60  1  0.93134800  0.43611200  0.10234200  1
  O  O61  1  0.62032900  0.41612200  0.13496400  1
  O  O62  1  0.71919200  0.08568200  0.46365000  1
  O  O63  1  0.44557500  0.25520000  0.32652200  1
  O  O64  1  0.74100700  0.78773200  0.78027000  1
  O  O65  1  0.13169100  0.24599800  0.34442200  1
  O  O66  1  0.28125600  0.57125700  0.00766600  1
  O  O67  1  0.22031400  0.93040500  0.67376300  1
  O  O68  1  0.06188800  0.13342200  0.53533700  1
  O  O69  1  0.26948800  0.50649000  0.20953900  1
  O  O70  1  0.23083200  0.84201800  0.86432900  1
  O  O71  1  0.37172800  0.18336700  0.54598400  1
  O  O72  1  0.87172800  0.81663300  0.95401600  1
  O  O73  1  0.73083200  0.15798200  0.63567100  1
  O  O74  1  0.76948800  0.49351000  0.29046100  1
  O  O75  1  0.56188800  0.86657800  0.96466300  1
  O  O76  1  0.72031400  0.06959500  0.82623700  1
  O  O77  1  0.78125600  0.42874300  0.49233400  1
  O  O78  1  0.24100700  0.21226800  0.71973000  1
  O  O79  1  0.63169100  0.75400200  0.15557800  1
  O  O80  1  0.94557500  0.74480000  0.17347800  1
  O  O81  1  0.21919200  0.91431800  0.03635000  1
  O  O82  1  0.12032900  0.58387800  0.36503600  1
  O  O83  1  0.43134800  0.56388800  0.39765800  1
