# generated using pymatgen data_Li9V12Fe7O48 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.12459100 _cell_length_b 10.21292860 _cell_length_c 17.44121847 _cell_angle_alpha 89.74566546 _cell_angle_beta 89.57159543 _cell_angle_gamma 89.81094414 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li9V12Fe7O48 _chemical_formula_sum 'Li9 V12 Fe7 O48' _cell_volume 912.78310167 _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 0.75765700 0.58116400 0.96982900 1.0 Li Li1 1 0.73374700 0.25189700 0.30208200 1.0 Li Li2 1 0.75152500 0.74678200 0.79879300 1.0 Li Li3 1 0.74725300 0.41515900 0.47063900 1.0 Li Li4 1 0.59936100 0.25137000 0.75204300 1.0 Li Li5 1 0.40275700 0.75106900 0.24798400 1.0 Li Li6 1 0.25312600 0.91435600 0.52950300 1.0 Li Li7 1 0.24303100 0.25225200 0.20221800 1.0 Li Li8 1 0.25952700 0.75065100 0.69890300 1.0 V V9 1 0.78658800 0.25332100 0.94347500 1.0 V V10 1 0.78546900 0.97474500 0.65623500 1.0 V V11 1 0.78988300 0.52711700 0.65101800 1.0 V V12 1 0.72052200 0.47309100 0.15246600 1.0 V V13 1 0.71787500 0.02952300 0.15636500 1.0 V V14 1 0.72299500 0.74688200 0.44310000 1.0 V V15 1 0.27750400 0.24573900 0.55574600 1.0 V V16 1 0.28412200 0.97142100 0.84633200 1.0 V V17 1 0.27511500 0.52425000 0.84426600 1.0 V V18 1 0.21297500 0.47427500 0.34408100 1.0 V V19 1 0.20850300 0.02635200 0.34847400 1.0 V V20 1 0.21800400 0.75265300 0.05793800 1.0 Fe Fe21 1 0.90427200 0.75093200 0.25160200 1.0 Fe Fe22 1 0.75675800 0.92426100 0.97280500 1.0 Fe Fe23 1 0.73568500 0.06783700 0.47561000 1.0 Fe Fe24 1 0.26464800 0.56801000 0.52383400 1.0 Fe Fe25 1 0.24892900 0.43247100 0.02625100 1.0 Fe Fe26 1 0.25344100 0.07856400 0.02976800 1.0 Fe Fe27 1 0.09866200 0.25002500 0.74672500 1.0 O O28 1 0.94504700 0.76063700 0.99603900 1.0 O O29 1 0.94389400 0.38729700 0.36983600 1.0 O O30 1 0.91830100 0.11138700 0.37996400 1.0 O O31 1 0.89625600 0.36888300 0.20984300 1.0 O O32 1 0.89468000 0.12817900 0.21332700 1.0 O O33 1 0.89773300 0.88981700 0.46638000 1.0 O O34 1 0.93643100 0.62140900 0.46412200 1.0 O O35 1 0.92293200 0.99909500 0.07348700 1.0 O O36 1 0.92577200 0.50423900 0.07427900 1.0 O O37 1 0.85846000 0.25196100 0.84779500 1.0 O O38 1 0.85741200 0.38623300 0.70467300 1.0 O O39 1 0.85552900 0.11639900 0.70827600 1.0 O O40 1 0.66527500 0.88362200 0.20483800 1.0 O O41 1 0.66969700 0.61823000 0.20379900 1.0 O O42 1 0.66774500 0.74738400 0.34450000 1.0 O O43 1 0.58789200 0.01013700 0.57334200 1.0 O O44 1 0.58563400 0.49054000 0.57385800 1.0 O O45 1 0.58884900 0.11379500 0.96699500 1.0 O O46 1 0.57901900 0.37913900 0.96608600 1.0 O O47 1 0.58876800 0.87300300 0.71224900 1.0 O O48 1 0.61239800 0.63325600 0.70660200 1.0 O O49 1 0.57145300 0.88921600 0.87661400 1.0 O O50 1 0.55198600 0.60651000 0.86874900 1.0 O O51 1 0.55757100 0.23560700 0.49350200 1.0 O O52 1 0.44266600 0.73565400 0.50490500 1.0 O O53 1 0.42973400 0.39151400 0.12280700 1.0 O O54 1 0.42971400 0.11326100 0.12654400 1.0 O O55 1 0.40569300 0.37218200 0.28725000 1.0 O O56 1 0.38414100 0.13106000 0.29178300 1.0 O O57 1 0.42469000 0.89071900 0.03583200 1.0 O O58 1 0.40360400 0.61644600 0.03534300 1.0 O O59 1 0.41475500 0.99020100 0.42562500 1.0 O O60 1 0.41188600 0.50922100 0.42587300 1.0 O O61 1 0.33421000 0.24608400 0.65395800 1.0 O O62 1 0.33466700 0.38218400 0.79128200 1.0 O O63 1 0.33369400 0.11616000 0.79617300 1.0 O O64 1 0.14245300 0.88463600 0.29593900 1.0 O O65 1 0.14447400 0.61643600 0.29115700 1.0 O O66 1 0.14096500 0.75431600 0.15409000 1.0 O O67 1 0.09066100 0.48538600 0.92734400 1.0 O O68 1 0.08525600 0.00974500 0.92989300 1.0 O O69 1 0.10274100 0.38961100 0.53288300 1.0 O O70 1 0.06361500 0.12093500 0.53506700 1.0 O O71 1 0.09573200 0.87043700 0.79372200 1.0 O O72 1 0.08936800 0.63272500 0.78799300 1.0 O O73 1 0.05359900 0.88700400 0.63019200 1.0 O O74 1 0.08058000 0.61094000 0.61951100 1.0 O O75 1 0.07243400 0.25100100 0.00758500 1.0