# generated using pymatgen data_LiFeP4O13 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.84995330 _cell_length_b 10.21560779 _cell_length_c 13.87718228 _cell_angle_alpha 78.75423808 _cell_angle_beta 95.52152478 _cell_angle_gamma 114.12668569 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiFeP4O13 _chemical_formula_sum 'Li4 Fe4 P16 O52' _cell_volume 1122.83081538 _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 0.50474200 0.86096000 0.48033000 1.0 Li Li1 1 0.87083800 0.19725700 0.00644200 1.0 Li Li2 1 0.63074000 0.30308400 0.99422700 1.0 Li Li3 1 0.15171300 0.80006000 0.99958000 1.0 Fe Fe4 1 0.18649900 0.24130800 0.25781200 1.0 Fe Fe5 1 0.31003100 0.25606800 0.74114000 1.0 Fe Fe6 1 0.81272900 0.75713700 0.74530700 1.0 Fe Fe7 1 0.68880900 0.74439500 0.25429200 1.0 P P8 1 0.61280500 0.03856900 0.18160700 1.0 P P9 1 0.04803700 0.94702900 0.15209600 1.0 P P10 1 0.16587600 0.95945000 0.64163900 1.0 P P11 1 0.31526900 0.98264500 0.29786400 1.0 P P12 1 0.10856500 0.53389400 0.18235600 1.0 P P13 1 0.33529900 0.54242400 0.35582400 1.0 P P14 1 0.88767500 0.46271700 0.81761900 1.0 P P15 1 0.38947300 0.96728100 0.81625300 1.0 P P16 1 0.83250800 0.03862300 0.35686800 1.0 P P17 1 0.95323500 0.05296000 0.84707600 1.0 P P18 1 0.80979900 0.47893000 0.30143300 1.0 P P19 1 0.18682700 0.51955300 0.70150600 1.0 P P20 1 0.54572700 0.44700000 0.15384600 1.0 P P21 1 0.45420600 0.55164700 0.84778800 1.0 P P22 1 0.68570900 0.01821300 0.70118000 1.0 P P23 1 0.66584300 0.46058400 0.64245900 1.0 O O24 1 0.35427000 0.61074300 0.75766300 1.0 O O25 1 0.87718000 0.05284700 0.93982000 1.0 O O26 1 0.63768100 0.11162600 0.61793700 1.0 O O27 1 0.82842000 0.89473300 0.33518000 1.0 O O28 1 0.75852200 0.39504500 0.73306300 1.0 O O29 1 0.79274900 0.61088500 0.32599700 1.0 O O30 1 0.44597900 0.04838300 0.20801800 1.0 O O31 1 0.62383800 0.44898900 0.06088500 1.0 O O32 1 0.13215600 0.16761500 0.84051100 1.0 O O33 1 0.64446700 0.38602700 0.24563800 1.0 O O34 1 0.63023600 0.66762400 0.84455100 1.0 O O35 1 0.73075300 0.99980000 0.44819500 1.0 O O36 1 0.94247100 0.54013100 0.21471700 1.0 O O37 1 0.20492800 0.38854800 0.67605100 1.0 O O38 1 0.07938600 0.37518500 0.18987700 1.0 O O39 1 0.55883300 0.59425300 0.17251800 1.0 O O40 1 0.67956900 0.60847400 0.65963200 1.0 O O41 1 0.24117000 0.60519600 0.26493300 1.0 O O42 1 0.85321200 0.38166200 0.38455200 1.0 O O43 1 0.67003000 0.14019700 0.08572100 1.0 O O44 1 0.32935800 0.87089000 0.91181400 1.0 O O45 1 0.58342400 0.87990800 0.18943900 1.0 O O46 1 0.15404500 0.63238700 0.08631600 1.0 O O47 1 0.29615400 0.11286200 0.32316800 1.0 O O48 1 0.94117400 0.90434900 0.83096500 1.0 O O49 1 0.55638200 0.95654700 0.79104400 1.0 O O50 1 0.69987300 0.88462300 0.67623800 1.0 O O51 1 0.00835500 0.15334500 0.36003000 1.0 O O52 1 0.14751800 0.88918200 0.24423700 1.0 O O53 1 0.26263500 0.89705800 0.73122500 1.0 O O54 1 0.25140400 0.52574300 0.45175500 1.0 O O55 1 0.05705600 0.09547500 0.16636600 1.0 O O56 1 0.74269100 0.10755800 0.26551500 1.0 O O57 1 0.18074500 0.10809100 0.65735200 1.0 O O58 1 0.44377300 0.40295900 0.83223900 1.0 O O59 1 0.51084500 0.66000500 0.35879500 1.0 O O60 1 0.91722600 0.62119300 0.81176800 1.0 O O61 1 0.12508600 0.94778400 0.05900700 1.0 O O62 1 0.36717200 0.33285000 0.15836200 1.0 O O63 1 0.14935200 0.62099100 0.61931000 1.0 O O64 1 0.48921700 0.34713500 0.64033000 1.0 O O65 1 0.36111300 0.88431900 0.37745300 1.0 O O66 1 0.05418600 0.45410000 0.78973800 1.0 O O67 1 0.36846500 0.53425900 0.94290600 1.0 O O68 1 0.75336100 0.48267400 0.54656500 1.0 O O69 1 0.87025600 0.83008800 0.15712200 1.0 O O70 1 0.85392100 0.11097700 0.75423800 1.0 O O71 1 0.42286700 0.12773700 0.80700300 1.0 O O72 1 0.32180100 0.39415400 0.34050600 1.0 O O73 1 0.98886400 0.84615800 0.64211100 1.0 O O74 1 0.25118600 0.97592700 0.54629400 1.0 O O75 1 0.83038300 0.36007000 0.91307000 1.0