# generated using pymatgen data_Li2Fe2(PO4)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.71905300 _cell_length_b 8.80585565 _cell_length_c 12.21449647 _cell_angle_alpha 90.03089117 _cell_angle_beta 90.09169583 _cell_angle_gamma 90.28852787 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2Fe2(PO4)3 _chemical_formula_sum 'Li8 Fe8 P12 O48' _cell_volume 937.80019844 _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 0.22068700 0.27269100 0.81995200 1.0 Li Li1 1 0.29198300 0.77050800 0.68401600 1.0 Li Li2 1 0.28706000 0.72861800 0.31637300 1.0 Li Li3 1 0.69115300 0.23490000 0.31287500 1.0 Li Li4 1 0.78670700 0.72564000 0.18225100 1.0 Li Li5 1 0.78473600 0.77425600 0.81833200 1.0 Li Li6 1 0.96056700 0.08877500 0.27945100 1.0 Li Li7 1 0.92063000 0.41247000 0.70315600 1.0 Fe Fe8 1 0.26114400 0.04772200 0.38141000 1.0 Fe Fe9 1 0.25570200 0.45623900 0.61257600 1.0 Fe Fe10 1 0.24627700 0.53670500 0.11568500 1.0 Fe Fe11 1 0.24996500 0.95416600 0.88896700 1.0 Fe Fe12 1 0.74316300 0.04095500 0.10774600 1.0 Fe Fe13 1 0.74308900 0.45386100 0.88727900 1.0 Fe Fe14 1 0.75076100 0.54523200 0.38788300 1.0 Fe Fe15 1 0.74882700 0.96317300 0.61655600 1.0 P P16 1 0.04480700 0.75111500 0.50182000 1.0 P P17 1 0.10613100 0.89389400 0.14770000 1.0 P P18 1 0.10457200 0.60179700 0.85302300 1.0 P P19 1 0.39380400 0.39750500 0.35306200 1.0 P P20 1 0.39344100 0.10439000 0.64664000 1.0 P P21 1 0.45781700 0.24785500 0.00100400 1.0 P P22 1 0.53979200 0.74842000 0.00077000 1.0 P P23 1 0.61094900 0.89663800 0.35381600 1.0 P P24 1 0.61116200 0.60399800 0.64879600 1.0 P P25 1 0.89834000 0.10849900 0.85282100 1.0 P P26 1 0.89361600 0.39391300 0.14759100 1.0 P P27 1 0.95699100 0.24968300 0.49702800 1.0 O O28 1 0.04944000 0.35750100 0.57257800 1.0 O O29 1 0.05614000 0.15108400 0.42006300 1.0 O O30 1 0.06942400 0.40485500 0.15637600 1.0 O O31 1 0.07535500 0.09697900 0.84243700 1.0 O O32 1 0.15444700 0.56197600 0.96917100 1.0 O O33 1 0.15504000 0.93174800 0.03097500 1.0 O O34 1 0.15280300 0.66148700 0.57951800 1.0 O O35 1 0.15006900 0.84346100 0.42400000 1.0 O O36 1 0.16142300 0.73348200 0.18020200 1.0 O O37 1 0.16699900 0.76011600 0.81936200 1.0 O O38 1 0.16617700 0.01318200 0.23125800 1.0 O O39 1 0.16194400 0.47775200 0.77084100 1.0 O O40 1 0.32167600 0.51671900 0.27534900 1.0 O O41 1 0.32564300 0.98286900 0.72605300 1.0 O O42 1 0.33613100 0.26368300 0.68065200 1.0 O O43 1 0.35257500 0.23285400 0.32276700 1.0 O O44 1 0.36061900 0.35168000 0.07434200 1.0 O O45 1 0.34606300 0.15825500 0.92623500 1.0 O O46 1 0.34187800 0.43533000 0.46990300 1.0 O O47 1 0.34144500 0.06659500 0.52990000 1.0 O O48 1 0.43382200 0.59492300 0.66123400 1.0 O O49 1 0.43375000 0.90074900 0.33995200 1.0 O O50 1 0.43914600 0.64636200 0.07349700 1.0 O O51 1 0.44403500 0.85518800 0.92942200 1.0 O O52 1 0.55435100 0.34702100 0.92292100 1.0 O O53 1 0.55482600 0.14531900 0.07417700 1.0 O O54 1 0.57095800 0.41122500 0.34313300 1.0 O O55 1 0.56925000 0.09488900 0.65736000 1.0 O O56 1 0.65533800 0.93106000 0.47252700 1.0 O O57 1 0.65774600 0.57220600 0.52999300 1.0 O O58 1 0.65020600 0.83691200 0.07835600 1.0 O O59 1 0.64458200 0.65489400 0.92372700 1.0 O O60 1 0.66293800 0.76735500 0.68153200 1.0 O O61 1 0.66842900 0.73757200 0.31925300 1.0 O O62 1 0.68762600 0.01886300 0.27865000 1.0 O O63 1 0.69234600 0.48800300 0.72417400 1.0 O O64 1 0.82397100 0.51438200 0.22617900 1.0 O O65 1 0.82575000 0.98770800 0.77545900 1.0 O O66 1 0.84278800 0.23115700 0.18507300 1.0 O O67 1 0.85582900 0.27345400 0.82138400 1.0 O O68 1 0.84434500 0.33631800 0.42111500 1.0 O O69 1 0.85854600 0.15104600 0.57404500 1.0 O O70 1 0.83628300 0.42628000 0.03165300 1.0 O O71 1 0.84405300 0.07164200 0.96931700 1.0 O O72 1 0.92652300 0.60056700 0.84145700 1.0 O O73 1 0.92745200 0.90251600 0.15969900 1.0 O O74 1 0.94585600 0.64446500 0.43088600 1.0 O O75 1 0.94286200 0.85269600 0.57328900 1.0