# generated using pymatgen
data_LiFePO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.40018400
_cell_length_b   8.48569700
_cell_length_c   14.84516122
_cell_angle_alpha   89.04196257
_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   932.08226005
_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  0.33130600  0.06670700  0.59249700  1
  Li  Li1  1  0.17786600  0.07862600  0.24141800  1
  Li  Li2  1  0.32552800  0.09636200  0.91974800  1
  Li  Li3  1  0.82552800  0.40363800  0.58025200  1
  Li  Li4  1  0.67786600  0.42137400  0.25858200  1
  Li  Li5  1  0.83130600  0.43329300  0.90750300  1
  Li  Li6  1  0.16869400  0.56670700  0.09249700  1
  Li  Li7  1  0.32213400  0.57862600  0.74141800  1
  Li  Li8  1  0.17447200  0.59636200  0.41974800  1
  Li  Li9  1  0.67447200  0.90363800  0.08025200  1
  Li  Li10  1  0.82213400  0.92137400  0.75858200  1
  Li  Li11  1  0.66869400  0.93329300  0.40750300  1
  Fe  Fe12  1  0.03858500  0.23697400  0.07631900  1
  Fe  Fe13  1  0.95598000  0.24117500  0.41342600  1
  Fe  Fe14  1  0.04551700  0.24841900  0.75544500  1
  Fe  Fe15  1  0.54551700  0.25158100  0.74455500  1
  Fe  Fe16  1  0.45598000  0.25882500  0.08657400  1
  Fe  Fe17  1  0.53858500  0.26302600  0.42368100  1
  Fe  Fe18  1  0.46141500  0.73697400  0.57631900  1
  Fe  Fe19  1  0.54402000  0.74117500  0.91342600  1
  Fe  Fe20  1  0.45448300  0.74841900  0.25544500  1
  Fe  Fe21  1  0.95448300  0.75158100  0.24455500  1
  Fe  Fe22  1  0.04402000  0.75882500  0.58657400  1
  Fe  Fe23  1  0.96141500  0.76302600  0.92368100  1
  P  P24  1  0.74128200  0.05246700  0.58907900  1
  P  P25  1  0.76122200  0.08172600  0.22925600  1
  P  P26  1  0.73553000  0.10945200  0.92449800  1
  P  P27  1  0.23553000  0.39054800  0.57550200  1
  P  P28  1  0.26122200  0.41827400  0.27074400  1
  P  P29  1  0.24128200  0.44753300  0.91092100  1
  P  P30  1  0.75871800  0.55246700  0.08907900  1
  P  P31  1  0.73877800  0.58172600  0.72925600  1
  P  P32  1  0.76447000  0.60945200  0.42449800  1
  P  P33  1  0.26447000  0.89054800  0.07550200  1
  P  P34  1  0.23877800  0.91827400  0.77074400  1
  P  P35  1  0.25871800  0.94753300  0.41092100  1
  O  O36  1  0.43566800  0.04318200  0.39757100  1
  O  O37  1  0.10091000  0.04245300  0.36944900  1
  O  O38  1  0.23369500  0.06543500  0.04367800  1
  O  O39  1  0.94484100  0.07889200  0.17891100  1
  O  O40  1  0.61078300  0.09688500  0.15770500  1
  O  O41  1  0.26234800  0.08322400  0.72119100  1
  O  O42  1  0.76839400  0.09319800  0.48679500  1
  O  O43  1  0.72455700  0.11059800  0.81864600  1
  O  O44  1  0.55643500  0.17267000  0.96183300  1
  O  O45  1  0.75715200  0.21337400  0.30082900  1
  O  O46  1  0.72466500  0.21149000  0.63961600  1
  O  O47  1  0.89225400  0.21668700  0.95396300  1
  O  O48  1  0.39225400  0.28331300  0.54603700  1
  O  O49  1  0.22466500  0.28851000  0.86038400  1
  O  O50  1  0.25715200  0.28662600  0.19917100  1
  O  O51  1  0.05643500  0.32733000  0.53816700  1
  O  O52  1  0.22455700  0.38940200  0.68135400  1
  O  O53  1  0.26839400  0.40680200  0.01320500  1
  O  O54  1  0.11078300  0.40311500  0.34229500  1
  O  O55  1  0.76234800  0.41677600  0.77880900  1
  O  O56  1  0.44484100  0.42110800  0.32108900  1
  O  O57  1  0.73369500  0.43456500  0.45632200  1
  O  O58  1  0.60091000  0.45754700  0.13055100  1
  O  O59  1  0.93566800  0.45681800  0.10242900  1
  O  O60  1  0.06433200  0.54318200  0.89757100  1
  O  O61  1  0.39909000  0.54245300  0.86944900  1
  O  O62  1  0.26630500  0.56543500  0.54367800  1
  O  O63  1  0.55515900  0.57889200  0.67891100  1
  O  O64  1  0.23765200  0.58322400  0.22119100  1
  O  O65  1  0.88921700  0.59688500  0.65770500  1
  O  O66  1  0.73160600  0.59319800  0.98679500  1
  O  O67  1  0.77544300  0.61059800  0.31864600  1
  O  O68  1  0.94356500  0.67267000  0.46183300  1
  O  O69  1  0.74284800  0.71337400  0.80082900  1
  O  O70  1  0.77533500  0.71149000  0.13961600  1
  O  O71  1  0.60774600  0.71668700  0.45396300  1
  O  O72  1  0.10774600  0.78331300  0.04603700  1
  O  O73  1  0.27533500  0.78851000  0.36038400  1
  O  O74  1  0.24284800  0.78662600  0.69917100  1
  O  O75  1  0.44356500  0.82733000  0.03816700  1
  O  O76  1  0.27544300  0.88940200  0.18135400  1
  O  O77  1  0.23160600  0.90680200  0.51320500  1
  O  O78  1  0.73765200  0.91677600  0.27880900  1
  O  O79  1  0.38921700  0.90311500  0.84229500  1
  O  O80  1  0.05515900  0.92110800  0.82108900  1
  O  O81  1  0.76630500  0.93456500  0.95632200  1
  O  O82  1  0.89909000  0.95754700  0.63055100  1
  O  O83  1  0.56433200  0.95681800  0.60242900  1
