# generated using pymatgen data_Li17Nb20O60 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.60006731 _cell_length_b 5.60818449 _cell_length_c 56.01695280 _cell_angle_alpha 55.86178607 _cell_angle_beta 55.91010833 _cell_angle_gamma 55.95647770 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li17Nb20O60 _chemical_formula_sum 'Li17 Nb20 O60' _cell_volume 1126.06057311 _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 0.29488940 0.29487715 0.02896185 1.0 Li Li1 1 0.29161031 0.29180435 0.13030489 1.0 Li Li2 1 0.79494578 0.79638361 0.17905384 1.0 Li Li3 1 0.29550908 0.29512570 0.32900151 1.0 Li Li4 1 0.79298930 0.79532202 0.27991361 1.0 Li Li5 1 0.29409058 0.29473123 0.42941158 1.0 Li Li6 1 0.79503514 0.79427603 0.37904584 1.0 Li Li7 1 0.29382628 0.29504422 0.52946953 1.0 Li Li8 1 0.79504365 0.79385571 0.47944240 1.0 Li Li9 1 0.29326050 0.29510471 0.62955595 1.0 Li Li10 1 0.79507552 0.79345110 0.57952188 1.0 Li Li11 1 0.29193366 0.29532185 0.72969182 1.0 Li Li12 1 0.79522611 0.79263925 0.67962153 1.0 Li Li13 1 0.28958745 0.29563258 0.82986730 1.0 Li Li14 1 0.79519744 0.79058167 0.77992785 1.0 Li Li15 1 0.79670691 0.79802444 0.87899311 1.0 Li Li16 1 0.79153218 0.79249231 0.97980056 1.0 Nb Nb17 1 0.02314468 0.01614329 0.00005753 1.0 Nb Nb18 1 0.00845057 0.01694258 0.10126705 1.0 Nb Nb19 1 0.50541503 0.51485116 0.05326595 1.0 Nb Nb20 1 0.01423878 0.00874918 0.20322447 1.0 Nb Nb21 1 0.51451865 0.52251925 0.15062110 1.0 Nb Nb22 1 0.01889687 0.02404600 0.30067376 1.0 Nb Nb23 1 0.51682949 0.51121881 0.25111863 1.0 Nb Nb24 1 0.01556045 0.01539122 0.40177524 1.0 Nb Nb25 1 0.51532335 0.51551229 0.35169293 1.0 Nb Nb26 1 0.01590873 0.01653868 0.50182273 1.0 Nb Nb27 1 0.51582116 0.51659507 0.45176635 1.0 Nb Nb28 1 0.01627060 0.01641246 0.60181631 1.0 Nb Nb29 1 0.51599966 0.51722553 0.55176037 1.0 Nb Nb30 1 0.01595197 0.01585939 0.70186378 1.0 Nb Nb31 1 0.51555267 0.51723188 0.65179747 1.0 Nb Nb32 1 0.01672448 0.01395611 0.80180232 1.0 Nb Nb33 1 0.51452760 0.51700429 0.75181267 1.0 Nb Nb34 1 0.01647791 0.01668957 0.90204277 1.0 Nb Nb35 1 0.51553549 0.51601518 0.85183153 1.0 Nb Nb36 1 0.52521793 0.50875907 0.95019210 1.0 O O37 1 0.16262818 0.34523060 0.07305285 1.0 O O38 1 0.37005456 0.74855524 0.01312712 1.0 O O39 1 0.73580625 0.16645098 0.03399451 1.0 O O40 1 0.24368233 0.87960900 0.06263582 1.0 O O41 1 0.62106280 0.25007945 0.08863580 1.0 O O42 1 0.12843193 0.37096085 0.17503079 1.0 O O43 1 0.86948778 0.62904716 0.02507802 1.0 O O44 1 0.34415844 0.72608462 0.11621432 1.0 O O45 1 0.73434984 0.13339822 0.13702996 1.0 O O46 1 0.24849172 0.86953582 0.16326958 1.0 O O47 1 0.66567593 0.23415505 0.18419990 1.0 O O48 1 0.12311781 0.38272921 0.27451759 1.0 O O49 1 0.87689933 0.62705352 0.12411724 1.0 O O50 1 0.38144451 0.74521799 0.21247606 1.0 O O51 1 0.75045570 0.12199164 0.23860301 1.0 O O52 1 0.23003557 0.84463896 0.26622308 1.0 O O53 1 0.63799521 0.23443213 0.28689761 1.0 O O54 1 0.12497961 0.37387147 0.37380452 1.0 O O55 1 0.84796604 0.66166475 0.22311002 1.0 O O56 1 0.37398272 0.74156148 0.31268165 1.0 O O57 1 0.73324638 0.12969717 0.33726691 1.0 O O58 1 0.23527622 0.87385981 0.36279933 1.0 O O59 1 0.62625800 0.23527688 0.38763215 1.0 O O60 1 0.12667587 0.37447052 0.47375535 1.0 O O61 1 0.87156890 0.62638344 0.32465723 1.0 O O62 1 0.37465793 0.73642303 0.41269089 1.0 O O63 1 0.73848265 0.12570313 0.43753022 1.0 O O64 1 0.23768604 0.87400070 0.46266316 1.0 O O65 1 0.62591185 0.23825157 0.48757292 1.0 O O66 1 0.12706762 0.37432246 0.57372883 1.0 O O67 1 0.87492791 0.62563295 0.42382758 1.0 O O68 1 0.37478938 0.73710285 0.51266242 1.0 O O69 1 0.73913901 0.12567567 0.53757340 1.0 O O70 1 0.23768107 0.87443813 0.56263512 1.0 O O71 1 0.62586197 0.23868912 0.58759827 1.0 O O72 1 0.12743267 0.37388011 0.67369166 1.0 O O73 1 0.87472110 0.62673817 0.52375224 1.0 O O74 1 0.37500872 0.73715672 0.61261306 1.0 O O75 1 0.73947033 0.12555761 0.63757990 1.0 O O76 1 0.23757147 0.87476534 0.66257303 1.0 O O77 1 0.62552940 0.23921105 0.68759280 1.0 O O78 1 0.12836880 0.37338385 0.77355302 1.0 O O79 1 0.87448654 0.62713974 0.62371490 1.0 O O80 1 0.37536396 0.73709974 0.71250698 1.0 O O81 1 0.73985522 0.12534038 0.73759269 1.0 O O82 1 0.23713578 0.87615015 0.76238874 1.0 O O83 1 0.62422870 0.24153486 0.78752585 1.0 O O84 1 0.12908707 0.37789292 0.87328847 1.0 O O85 1 0.87356902 0.62785525 0.72365202 1.0 O O86 1 0.37701800 0.73771521 0.81223990 1.0 O O87 1 0.73948673 0.12513708 0.83734367 1.0 O O88 1 0.24579742 0.87188452 0.86294826 1.0 O O89 1 0.65735623 0.23908166 0.88477930 1.0 O O90 1 0.12677901 0.37744428 0.97386706 1.0 O O91 1 0.87368891 0.63386073 0.82277690 1.0 O O92 1 0.37885110 0.74885416 0.91226242 1.0 O O93 1 0.75315566 0.12400765 0.93806854 1.0 O O94 1 0.22714582 0.83944295 0.96636496 1.0 O O95 1 0.63449909 0.23373327 0.98682884 1.0 O O96 1 0.84813080 0.66310811 0.92306143 1.0