# generated using pymatgen data_Li3Fe4P9O32 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.94536700 _cell_length_b 13.94536700 _cell_length_c 6.36582100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li3Fe4P9O32 _chemical_formula_sum 'Li6 Fe8 P18 O64' _cell_volume 1237.98196731 _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 0.50000000 0.00000000 0.35569700 1.0 Li Li1 1 0.00000000 0.50000000 0.64430300 1.0 Li Li2 1 0.00000000 0.50000000 0.14430300 1.0 Li Li3 1 0.50000000 0.50000000 0.50000000 1.0 Li Li4 1 0.50000000 0.00000000 0.85569700 1.0 Li Li5 1 0.00000000 0.00000000 0.00000000 1.0 Fe Fe6 1 0.80279000 0.12050500 0.37618600 1.0 Fe Fe7 1 0.69721000 0.62050500 0.12381400 1.0 Fe Fe8 1 0.19721000 0.87949500 0.37618600 1.0 Fe Fe9 1 0.12050500 0.19721000 0.62381400 1.0 Fe Fe10 1 0.30279000 0.37949500 0.12381400 1.0 Fe Fe11 1 0.62050500 0.30279000 0.87618600 1.0 Fe Fe12 1 0.37949500 0.69721000 0.87618600 1.0 Fe Fe13 1 0.87949500 0.80279000 0.62381400 1.0 P P14 1 0.74568700 0.60658500 0.63449700 1.0 P P15 1 0.60658500 0.25431300 0.36550300 1.0 P P16 1 0.10658500 0.24568700 0.13449700 1.0 P P17 1 0.94088500 0.30410800 0.38567800 1.0 P P18 1 0.80410800 0.44088500 0.88567800 1.0 P P19 1 0.25431300 0.39341500 0.63449700 1.0 P P20 1 0.30410800 0.05911500 0.61432200 1.0 P P21 1 0.24568700 0.89341500 0.86550300 1.0 P P22 1 0.69589200 0.94088500 0.61432200 1.0 P P23 1 0.00000000 0.00000000 0.50000000 1.0 P P24 1 0.75431300 0.10658500 0.86550300 1.0 P P25 1 0.44088500 0.19589200 0.11432200 1.0 P P26 1 0.55911500 0.80410800 0.11432200 1.0 P P27 1 0.50000000 0.50000000 0.00000000 1.0 P P28 1 0.05911500 0.69589200 0.38567800 1.0 P P29 1 0.19589200 0.55911500 0.88567800 1.0 P P30 1 0.89341500 0.75431300 0.13449700 1.0 P P31 1 0.39341500 0.74568700 0.36550300 1.0 O O32 1 0.68768500 0.60725100 0.43254500 1.0 O O33 1 0.33700500 0.83969200 0.37487500 1.0 O O34 1 0.76135300 0.34042600 0.85976000 1.0 O O35 1 0.99097600 0.25449300 0.57150300 1.0 O O36 1 0.44476200 0.08712900 0.10006500 1.0 O O37 1 0.93936200 0.93665600 0.65071000 1.0 O O38 1 0.34042600 0.23864700 0.14024000 1.0 O O39 1 0.50382000 0.77565600 0.33028100 1.0 O O40 1 0.31231500 0.39274900 0.43254500 1.0 O O41 1 0.58712900 0.94476200 0.60006500 1.0 O O42 1 0.49618000 0.22434400 0.33028100 1.0 O O43 1 0.60725100 0.31231500 0.56745500 1.0 O O44 1 0.56063800 0.43665600 0.84929000 1.0 O O45 1 0.18010500 0.86498800 0.68232300 1.0 O O46 1 0.86498800 0.81989500 0.31767700 1.0 O O47 1 0.73864700 0.84042600 0.64024000 1.0 O O48 1 0.56334400 0.56063800 0.15071000 1.0 O O49 1 0.15957400 0.73864700 0.35976000 1.0 O O50 1 0.81231500 0.10725100 0.06745500 1.0 O O51 1 0.06063800 0.06334400 0.65071000 1.0 O O52 1 0.27565600 0.00382000 0.83028100 1.0 O O53 1 0.84042600 0.26135300 0.35976000 1.0 O O54 1 0.65957400 0.76135300 0.14024000 1.0 O O55 1 0.43936200 0.56334400 0.84929000 1.0 O O56 1 0.10725100 0.18768500 0.93254500 1.0 O O57 1 0.77565600 0.49618000 0.66971900 1.0 O O58 1 0.91287100 0.44476200 0.89993500 1.0 O O59 1 0.05523800 0.58712900 0.39993500 1.0 O O60 1 0.06334400 0.93936200 0.34929000 1.0 O O61 1 0.99618000 0.27565600 0.16971900 1.0 O O62 1 0.55523800 0.91287100 0.10006500 1.0 O O63 1 0.00902400 0.74550700 0.57150300 1.0 O O64 1 0.31989500 0.36498800 0.81767700 1.0 O O65 1 0.50902400 0.75449300 0.92849700 1.0 O O66 1 0.25449300 0.00902400 0.42849700 1.0 O O67 1 0.93665600 0.06063800 0.34929000 1.0 O O68 1 0.66030800 0.16299500 0.87487500 1.0 O O69 1 0.83700500 0.66030800 0.12512500 1.0 O O70 1 0.36498800 0.68010500 0.18232300 1.0 O O71 1 0.41287100 0.05523800 0.60006500 1.0 O O72 1 0.81989500 0.13501200 0.68232300 1.0 O O73 1 0.08712900 0.55523800 0.89993500 1.0 O O74 1 0.74550700 0.99097600 0.42849700 1.0 O O75 1 0.13501200 0.18010500 0.31767700 1.0 O O76 1 0.26135300 0.15957400 0.64024000 1.0 O O77 1 0.00382000 0.72434400 0.16971900 1.0 O O78 1 0.18768500 0.89274900 0.06745500 1.0 O O79 1 0.39274900 0.68768500 0.56745500 1.0 O O80 1 0.33969200 0.83700500 0.87487500 1.0 O O81 1 0.94476200 0.41287100 0.39993500 1.0 O O82 1 0.22434400 0.50382000 0.66971900 1.0 O O83 1 0.75449300 0.49097600 0.07150300 1.0 O O84 1 0.49097600 0.24550700 0.92849700 1.0 O O85 1 0.16030800 0.33700500 0.62512500 1.0 O O86 1 0.89274900 0.81231500 0.93254500 1.0 O O87 1 0.66299500 0.16030800 0.37487500 1.0 O O88 1 0.68010500 0.63501200 0.81767700 1.0 O O89 1 0.23864700 0.65957400 0.85976000 1.0 O O90 1 0.16299500 0.33969200 0.12512500 1.0 O O91 1 0.24550700 0.50902400 0.07150300 1.0 O O92 1 0.43665600 0.43936200 0.15071000 1.0 O O93 1 0.72434400 0.99618000 0.83028100 1.0 O O94 1 0.83969200 0.66299500 0.62512500 1.0 O O95 1 0.63501200 0.31989500 0.18232300 1.0