# generated using pymatgen data_LiFe2(PO4)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.80223500 _cell_length_b 8.68573200 _cell_length_c 14.97578251 _cell_angle_alpha 54.54627706 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiFe2(PO4)3 _chemical_formula_sum 'Li4 Fe8 P12 O48' _cell_volume 932.66339631 _cell_formula_units_Z 4 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 0.52973400 0.40248300 0.82143300 1.0 Li Li1 1 0.97256100 0.97717400 0.31787500 1.0 Li Li2 1 0.47026600 0.40248300 0.32143300 1.0 Li Li3 1 0.02743900 0.97717400 0.81787500 1.0 Fe Fe4 1 0.71703300 0.63576100 0.61557600 1.0 Fe Fe5 1 0.20511300 0.36624800 0.88312600 1.0 Fe Fe6 1 0.78491200 0.13429400 0.11478800 1.0 Fe Fe7 1 0.29459900 0.86864800 0.38273500 1.0 Fe Fe8 1 0.21508800 0.13429400 0.61478800 1.0 Fe Fe9 1 0.70540100 0.86864800 0.88273500 1.0 Fe Fe10 1 0.28296700 0.63576100 0.11557600 1.0 Fe Fe11 1 0.79488700 0.36624800 0.38312600 1.0 P P12 1 0.00215200 0.54076500 0.49719600 1.0 P P13 1 0.85682600 0.25161000 0.85396800 1.0 P P14 1 0.14217600 0.96322400 0.14797300 1.0 P P15 1 0.64379000 0.04230500 0.35320000 1.0 P P16 1 0.35981800 0.74402600 0.64677100 1.0 P P17 1 0.49908700 0.45885700 0.00247500 1.0 P P18 1 0.99784800 0.54076500 0.99719600 1.0 P P19 1 0.14317400 0.25161000 0.35396800 1.0 P P20 1 0.85782400 0.96322400 0.64797300 1.0 P P21 1 0.35621000 0.04230500 0.85320000 1.0 P P22 1 0.64018200 0.74402600 0.14677100 1.0 P P23 1 0.50091300 0.45885700 0.50247500 1.0 O O24 1 0.39245400 0.62663200 0.43285900 1.0 O O25 1 0.59438100 0.47718100 0.58239000 1.0 O O26 1 0.35763200 0.21846700 0.85633200 1.0 O O27 1 0.66048400 0.90104100 0.16430500 1.0 O O28 1 0.89218900 0.53707900 0.57870100 1.0 O O29 1 0.81652500 0.17747600 0.97228300 1.0 O O30 1 0.02364300 0.31820100 0.82808300 1.0 O O31 1 0.25616800 0.92211000 0.23663200 1.0 O O32 1 0.08265200 0.73460300 0.42996000 1.0 O O33 1 0.98170000 0.98709700 0.18062500 1.0 O O34 1 0.18978100 0.14111700 0.03634400 1.0 O O35 1 0.74297000 0.41168300 0.77680000 1.0 O O36 1 0.24590500 0.58714300 0.72552900 1.0 O O37 1 0.69331700 0.86488800 0.46551700 1.0 O O38 1 0.48315800 0.01768700 0.32400500 1.0 O O39 1 0.58689800 0.27071700 0.06969200 1.0 O O40 1 0.76318700 0.07193300 0.26858400 1.0 O O41 1 0.52401300 0.66432500 0.67914500 1.0 O O42 1 0.32601000 0.81812600 0.52835100 1.0 O O43 1 0.40122300 0.44941700 0.91959400 1.0 O O44 1 0.85526800 0.79650500 0.63663500 1.0 O O45 1 0.15602900 0.09056400 0.33836500 1.0 O O46 1 0.09034800 0.52591900 0.91492300 1.0 O O47 1 0.88759900 0.37579400 0.06513100 1.0 O O48 1 0.60754600 0.62663200 0.93285900 1.0 O O49 1 0.40561900 0.47718100 0.08239000 1.0 O O50 1 0.33951600 0.90104100 0.66430500 1.0 O O51 1 0.64236800 0.21846700 0.35633200 1.0 O O52 1 0.10781100 0.53707900 0.07870100 1.0 O O53 1 0.18347500 0.17747600 0.47228300 1.0 O O54 1 0.97635700 0.31820100 0.32808300 1.0 O O55 1 0.74383200 0.92211000 0.73663200 1.0 O O56 1 0.91734800 0.73460300 0.92996000 1.0 O O57 1 0.01830000 0.98709700 0.68062500 1.0 O O58 1 0.81021900 0.14111700 0.53634400 1.0 O O59 1 0.25703000 0.41168300 0.27680000 1.0 O O60 1 0.75409500 0.58714300 0.22552900 1.0 O O61 1 0.30668300 0.86488800 0.96551700 1.0 O O62 1 0.51684200 0.01768700 0.82400500 1.0 O O63 1 0.41310200 0.27071700 0.56969200 1.0 O O64 1 0.23681300 0.07193300 0.76858400 1.0 O O65 1 0.47598700 0.66432500 0.17914500 1.0 O O66 1 0.67399000 0.81812600 0.02835100 1.0 O O67 1 0.59877700 0.44941700 0.41959400 1.0 O O68 1 0.84397100 0.09056400 0.83836500 1.0 O O69 1 0.14473200 0.79650500 0.13663500 1.0 O O70 1 0.90965200 0.52591900 0.41492300 1.0 O O71 1 0.11240100 0.37579400 0.56513100 1.0