# generated using pymatgen data_Li9V12Fe7O48 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.10463900 _cell_length_b 10.18038475 _cell_length_c 17.40312283 _cell_angle_alpha 90.14334621 _cell_angle_beta 90.68676751 _cell_angle_gamma 90.02192128 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li9V12Fe7O48 _chemical_formula_sum 'Li9 V12 Fe7 O48' _cell_volume 904.32349885 _cell_formula_units_Z 1 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 0.90372600 0.74868800 0.25150100 1.0 Li Li1 1 0.75102200 0.58410800 0.97115700 1.0 Li Li2 1 0.74590000 0.41869400 0.47212400 1.0 Li Li3 1 0.74339400 0.08132000 0.47289700 1.0 Li Li4 1 0.76517000 0.74864200 0.80231600 1.0 Li Li5 1 0.24113500 0.24835700 0.19063900 1.0 Li Li6 1 0.25037300 0.08200200 0.02826200 1.0 Li Li7 1 0.25671300 0.74971300 0.70106400 1.0 Li Li8 1 0.09589500 0.24868500 0.74814500 1.0 V V9 1 0.78025700 0.25213900 0.94246200 1.0 V V10 1 0.77547100 0.97018400 0.65477600 1.0 V V11 1 0.77932000 0.52976300 0.65348500 1.0 V V12 1 0.71144000 0.47348500 0.15238800 1.0 V V13 1 0.71691200 0.02560200 0.15668700 1.0 V V14 1 0.71129000 0.74915900 0.44308600 1.0 V V15 1 0.28189900 0.25014500 0.55929600 1.0 V V16 1 0.28473600 0.52470300 0.84445100 1.0 V V17 1 0.28716600 0.97383500 0.84792800 1.0 V V18 1 0.22716400 0.46928800 0.34358700 1.0 V V19 1 0.22734200 0.03030700 0.34482300 1.0 V V20 1 0.21990800 0.75180200 0.05709400 1.0 Fe Fe21 1 0.76044300 0.24897000 0.29820000 1.0 Fe Fe22 1 0.76203400 0.93069800 0.97523100 1.0 Fe Fe23 1 0.59621200 0.24949300 0.75029900 1.0 Fe Fe24 1 0.40323300 0.75027500 0.24876000 1.0 Fe Fe25 1 0.24074000 0.92913100 0.52779100 1.0 Fe Fe26 1 0.24398000 0.57052700 0.52671400 1.0 Fe Fe27 1 0.23952300 0.43071700 0.02362300 1.0 O O28 1 0.93853200 0.76258100 0.99487000 1.0 O O29 1 0.93756900 0.38120300 0.36495400 1.0 O O30 1 0.93926700 0.11888800 0.36729200 1.0 O O31 1 0.88950700 0.36594300 0.21120800 1.0 O O32 1 0.91168000 0.12971500 0.21586000 1.0 O O33 1 0.91065200 0.88165800 0.46646600 1.0 O O34 1 0.91191700 0.61635000 0.46525800 1.0 O O35 1 0.91135800 0.99206700 0.07526900 1.0 O O36 1 0.91694500 0.50805900 0.07596000 1.0 O O37 1 0.83733800 0.25255300 0.84376200 1.0 O O38 1 0.83491600 0.38314900 0.70314200 1.0 O O39 1 0.83415400 0.11762400 0.70421600 1.0 O O40 1 0.64704400 0.88182900 0.20745200 1.0 O O41 1 0.64147300 0.61511900 0.20373600 1.0 O O42 1 0.63978800 0.74781300 0.34567300 1.0 O O43 1 0.57165800 0.49988400 0.57361000 1.0 O O44 1 0.56786000 0.99699100 0.57504700 1.0 O O45 1 0.60111600 0.11041700 0.96589700 1.0 O O46 1 0.56696200 0.37890900 0.96405400 1.0 O O47 1 0.60731300 0.86857200 0.71352300 1.0 O O48 1 0.59969300 0.63115700 0.71000700 1.0 O O49 1 0.57590000 0.88645700 0.87919500 1.0 O O50 1 0.55644400 0.61471700 0.87047500 1.0 O O51 1 0.54613100 0.25017600 0.49981200 1.0 O O52 1 0.41960500 0.75014100 0.50708600 1.0 O O53 1 0.42212000 0.38883900 0.12103800 1.0 O O54 1 0.44118700 0.10931400 0.13041200 1.0 O O55 1 0.43640300 0.36939500 0.29087700 1.0 O O56 1 0.44320500 0.13059100 0.29510800 1.0 O O57 1 0.43266800 0.87740400 0.03482100 1.0 O O58 1 0.39768000 0.60926600 0.03331000 1.0 O O59 1 0.39810000 0.98777600 0.42827600 1.0 O O60 1 0.40041500 0.51038900 0.42708600 1.0 O O61 1 0.35836600 0.24869600 0.65752400 1.0 O O62 1 0.35732700 0.38156000 0.79277200 1.0 O O63 1 0.35763300 0.11534000 0.79591300 1.0 O O64 1 0.16655500 0.88554200 0.29381000 1.0 O O65 1 0.16510800 0.61367900 0.29288600 1.0 O O66 1 0.16483800 0.75150700 0.15589500 1.0 O O67 1 0.08604300 0.48951500 0.92652600 1.0 O O68 1 0.07933900 0.00974300 0.92540400 1.0 O O69 1 0.08650100 0.39063100 0.53802700 1.0 O O70 1 0.08679000 0.10982300 0.53767100 1.0 O O71 1 0.11398200 0.86970200 0.78945000 1.0 O O72 1 0.09041900 0.62331500 0.78702800 1.0 O O73 1 0.06702900 0.88746900 0.62505500 1.0 O O74 1 0.06817000 0.61539700 0.62357700 1.0 O O75 1 0.06291000 0.26269900 0.00492800 1.0