# generated using pymatgen data_LiFe2(PO4)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.77916800 _cell_length_b 8.81996472 _cell_length_c 12.27433079 _cell_angle_alpha 89.78281014 _cell_angle_beta 89.87829750 _cell_angle_gamma 89.94737471 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiFe2(PO4)3 _chemical_formula_sum 'Li4 Fe8 P12 O48' _cell_volume 950.41602624 _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 0.70915000 0.72759500 0.68589400 1.0 Li Li1 1 0.21574400 0.77811600 0.18072100 1.0 Li Li2 1 0.06610100 0.09039500 0.70858700 1.0 Li Li3 1 0.06116300 0.40881000 0.28817400 1.0 Fe Fe4 1 0.74142300 0.04482700 0.61565300 1.0 Fe Fe5 1 0.73878900 0.46665900 0.38085300 1.0 Fe Fe6 1 0.75231000 0.53351100 0.88658400 1.0 Fe Fe7 1 0.75361500 0.96020800 0.11790300 1.0 Fe Fe8 1 0.25568700 0.03477400 0.88691100 1.0 Fe Fe9 1 0.25768600 0.45610000 0.10994000 1.0 Fe Fe10 1 0.24915300 0.53797000 0.61828300 1.0 Fe Fe11 1 0.24961000 0.96626600 0.38680900 1.0 P P12 1 0.95896800 0.75160600 0.50229000 1.0 P P13 1 0.89256000 0.89561600 0.85226200 1.0 P P14 1 0.89688900 0.60843400 0.14663000 1.0 P P15 1 0.60507500 0.39671800 0.64598300 1.0 P P16 1 0.60754400 0.10700300 0.35421200 1.0 P P17 1 0.54020400 0.24846400 0.99850900 1.0 P P18 1 0.46654700 0.74728800 0.00096400 1.0 P P19 1 0.38976000 0.89364200 0.64756100 1.0 P P20 1 0.38179200 0.60310300 0.35175600 1.0 P P21 1 0.10605500 0.10764100 0.14675100 1.0 P P22 1 0.10947700 0.39052300 0.85368300 1.0 P P23 1 0.03702300 0.25053100 0.49949800 1.0 O O24 1 0.93936100 0.34699100 0.42083400 1.0 O O25 1 0.94404900 0.14521900 0.57523400 1.0 O O26 1 0.93643500 0.41286000 0.84314000 1.0 O O27 1 0.93087600 0.09432600 0.14717100 1.0 O O28 1 0.83947700 0.56235900 0.03399300 1.0 O O29 1 0.83042600 0.94054400 0.96403700 1.0 O O30 1 0.86936600 0.64428000 0.42761700 1.0 O O31 1 0.84367900 0.83802200 0.57476500 1.0 O O32 1 0.83522300 0.73496400 0.82301500 1.0 O O33 1 0.85281200 0.77283700 0.17141900 1.0 O O34 1 0.84432600 0.01055300 0.76301200 1.0 O O35 1 0.83884500 0.49407600 0.23391400 1.0 O O36 1 0.67156000 0.51238300 0.72837900 1.0 O O37 1 0.68246600 0.99920400 0.27142400 1.0 O O38 1 0.64673200 0.27336400 0.32883400 1.0 O O39 1 0.65202100 0.23311900 0.67039400 1.0 O O40 1 0.65082100 0.34091000 0.92813800 1.0 O O41 1 0.63237600 0.14114100 0.07134400 1.0 O O42 1 0.66166900 0.44548300 0.53254400 1.0 O O43 1 0.66159700 0.06306500 0.46834200 1.0 O O44 1 0.55630100 0.58985500 0.34368100 1.0 O O45 1 0.56411900 0.91017500 0.66348800 1.0 O O46 1 0.56259800 0.64160900 0.93097000 1.0 O O47 1 0.56608700 0.84250900 0.07840800 1.0 O O48 1 0.44477500 0.34984600 0.07335600 1.0 O O49 1 0.43943900 0.15587900 0.92083100 1.0 O O50 1 0.42970200 0.40658300 0.64918900 1.0 O O51 1 0.43400300 0.08716800 0.34117000 1.0 O O52 1 0.34377100 0.93132000 0.52979900 1.0 O O53 1 0.32891900 0.56684500 0.46818700 1.0 O O54 1 0.37859300 0.85565000 0.92602000 1.0 O O55 1 0.35189800 0.66143400 0.07468500 1.0 O O56 1 0.33235600 0.76722700 0.32206400 1.0 O O57 1 0.35237300 0.72526500 0.67157600 1.0 O O58 1 0.29659300 0.99880800 0.72402100 1.0 O O59 1 0.30199100 0.49190600 0.27281700 1.0 O O60 1 0.18038000 0.50136400 0.77105800 1.0 O O61 1 0.17012400 0.99083200 0.22979600 1.0 O O62 1 0.14440200 0.22249100 0.82599700 1.0 O O63 1 0.14668100 0.27350400 0.17458100 1.0 O O64 1 0.13137700 0.35273800 0.57465100 1.0 O O65 1 0.14696800 0.16023900 0.42674500 1.0 O O66 1 0.16780300 0.43105700 0.96678100 1.0 O O67 1 0.16961600 0.06089200 0.03554500 1.0 O O68 1 0.07365500 0.59729000 0.15316200 1.0 O O69 1 0.06854900 0.90240100 0.85578400 1.0 O O70 1 0.06005000 0.65763100 0.58002300 1.0 O O71 1 0.05766900 0.85598100 0.43162400 1.0