# generated using pymatgen data_Li3Fe4(PO4)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.34551657 _cell_length_b 12.06569859 _cell_length_c 8.62545333 _cell_angle_alpha 90.38598850 _cell_angle_beta 90.03502545 _cell_angle_gamma 90.48416365 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li3Fe4(PO4)6 _chemical_formula_sum 'Li6 Fe8 P12 O48' _cell_volume 868.48469110 _cell_formula_units_Z 2 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 0.19404400 0.18006700 0.78492800 1.0 Li Li1 1 0.31458400 0.31776100 0.28434100 1.0 Li Li2 1 0.42715800 0.80285000 0.59232500 1.0 Li Li3 1 0.81376000 0.81921200 0.21205500 1.0 Li Li4 1 0.92173400 0.30621700 0.91207600 1.0 Li Li5 1 0.92244700 0.65921700 0.50139500 1.0 Fe Fe6 1 0.25233100 0.88898200 0.02927900 1.0 Fe Fe7 1 0.24816500 0.11187900 0.46321900 1.0 Fe Fe8 1 0.25664500 0.60286900 0.52443700 1.0 Fe Fe9 1 0.26222100 0.39248700 0.96502700 1.0 Fe Fe10 1 0.74782400 0.61044300 0.02955200 1.0 Fe Fe11 1 0.75260700 0.38640600 0.47006800 1.0 Fe Fe12 1 0.75470400 0.89113500 0.53755900 1.0 Fe Fe13 1 0.74513000 0.10401600 0.97245200 1.0 P P14 1 0.03159600 0.49314400 0.25049800 1.0 P P15 1 0.11770000 0.85176200 0.38124600 1.0 P P16 1 0.10987500 0.14136600 0.10781200 1.0 P P17 1 0.39310400 0.65344400 0.88385800 1.0 P P18 1 0.38928600 0.35347500 0.60799500 1.0 P P19 1 0.46054900 0.00859500 0.75608500 1.0 P P20 1 0.53690100 0.99250800 0.24691000 1.0 P P21 1 0.61550500 0.64379400 0.38735400 1.0 P P22 1 0.61555900 0.35401800 0.11836200 1.0 P P23 1 0.88936700 0.85247200 0.88851300 1.0 P P24 1 0.88749200 0.15055200 0.61817800 1.0 P P25 1 0.95949000 0.50771700 0.75130300 1.0 O O26 1 0.06905200 0.89150300 0.89148400 1.0 O O27 1 0.05354800 0.43775900 0.86915700 1.0 O O28 1 0.05418300 0.60005200 0.67012000 1.0 O O29 1 0.06661000 0.17797200 0.58785200 1.0 O O30 1 0.08817700 0.58407700 0.36532600 1.0 O O31 1 0.12640600 0.84239700 0.19730800 1.0 O O32 1 0.13857700 0.97361200 0.42751800 1.0 O O33 1 0.13031200 0.23756800 0.98898300 1.0 O O34 1 0.16846100 0.18286900 0.26659800 1.0 O O35 1 0.17751900 0.43380300 0.17892100 1.0 O O36 1 0.23372200 0.77751300 0.46962200 1.0 O O37 1 0.22405900 0.04591100 0.05037500 1.0 O O38 1 0.27525600 0.72912000 0.97692400 1.0 O O39 1 0.27633200 0.44841700 0.55825900 1.0 O O40 1 0.31955300 0.06928000 0.68358300 1.0 O O41 1 0.33552000 0.31478300 0.77133400 1.0 O O42 1 0.35509700 0.53144100 0.92164700 1.0 O O43 1 0.37736400 0.66844600 0.70553100 1.0 O O44 1 0.36416500 0.25869200 0.48971200 1.0 O O45 1 0.39632700 0.91503500 0.86648100 1.0 O O46 1 0.43485900 0.89790000 0.16615600 1.0 O O47 1 0.44192200 0.60073900 0.38366500 1.0 O O48 1 0.43773900 0.32242700 0.08601700 1.0 O O49 1 0.44110800 0.05600900 0.36926800 1.0 O O50 1 0.54920000 0.93770500 0.63416600 1.0 O O51 1 0.56973900 0.68079400 0.92813700 1.0 O O52 1 0.56633300 0.39427800 0.60769800 1.0 O O53 1 0.56744800 0.09926900 0.83215200 1.0 O O54 1 0.59779900 0.08384400 0.13398700 1.0 O O55 1 0.62740200 0.74781500 0.49361700 1.0 O O56 1 0.62427500 0.34373300 0.30061000 1.0 O O57 1 0.63886700 0.47743900 0.07232900 1.0 O O58 1 0.67417200 0.68202200 0.22266000 1.0 O O59 1 0.68161800 0.93264100 0.31776800 1.0 O O60 1 0.73644800 0.55857700 0.44906300 1.0 O O61 1 0.73123500 0.28039900 0.02848800 1.0 O O62 1 0.77957600 0.94704700 0.94557700 1.0 O O63 1 0.77492300 0.22497500 0.52767800 1.0 O O64 1 0.81444300 0.56555400 0.83094700 1.0 O O65 1 0.84273300 0.81809000 0.72269100 1.0 O O66 1 0.86345800 0.75701500 0.00651400 1.0 O O67 1 0.85246700 0.02830600 0.57844300 1.0 O O68 1 0.87541400 0.16413600 0.80140200 1.0 O O69 1 0.89157500 0.41588700 0.63981600 1.0 O O70 1 0.94098100 0.81311900 0.41314500 1.0 O O71 1 0.93215500 0.39867300 0.32944600 1.0 O O72 1 0.93635300 0.55737700 0.12532500 1.0 O O73 1 0.93220700 0.10500600 0.11179600 1.0