# generated using pymatgen data_Na13Ti24O54 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.85964900 _cell_length_b 11.13339179 _cell_length_c 11.73492211 _cell_angle_alpha 75.98463123 _cell_angle_beta 82.70144858 _cell_angle_gamma 74.60521671 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na13Ti24O54 _chemical_formula_sum 'Na13 Ti24 O54' _cell_volume 1080.31615895 _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 Na Na0 1 0.57240300 0.30542400 0.85944300 1.0 Na Na1 1 0.93796700 0.30290900 0.85683900 1.0 Na Na2 1 0.18035500 0.59534200 0.72722500 1.0 Na Na3 1 0.84358700 0.60424000 0.72536400 1.0 Na Na4 1 0.51206600 0.60293500 0.72734500 1.0 Na Na5 1 0.53055200 0.09895600 0.71613800 1.0 Na Na6 1 0.16570300 0.09914800 0.71694500 1.0 Na Na7 1 0.15989900 0.90036000 0.28293000 1.0 Na Na8 1 0.48584700 0.40512900 0.27352200 1.0 Na Na9 1 0.15495000 0.39784900 0.27155800 1.0 Na Na10 1 0.82216100 0.39757600 0.27509900 1.0 Na Na11 1 0.09254900 0.69482700 0.14159400 1.0 Na Na12 1 0.71717600 0.70571000 0.14659100 1.0 Ti Ti13 1 0.99935800 0.00248800 0.99901200 1.0 Ti Ti14 1 0.66723900 0.99868600 0.00196200 1.0 Ti Ti15 1 0.33419500 0.99783900 0.00114500 1.0 Ti Ti16 1 0.49587800 0.50819700 0.00907600 1.0 Ti Ti17 1 0.17160700 0.49177500 0.99058700 1.0 Ti Ti18 1 0.83285600 0.50244600 0.00037600 1.0 Ti Ti19 1 0.91611600 0.81444500 0.87620700 1.0 Ti Ti20 1 0.58343100 0.81155500 0.87795000 1.0 Ti Ti21 1 0.24975100 0.80803100 0.87963500 1.0 Ti Ti22 1 0.94415400 0.88307200 0.57277900 1.0 Ti Ti23 1 0.61434500 0.87539400 0.56637300 1.0 Ti Ti24 1 0.28005900 0.87721600 0.56966700 1.0 Ti Ti25 1 0.44826800 0.37410500 0.55422200 1.0 Ti Ti26 1 0.11647400 0.37661300 0.55456300 1.0 Ti Ti27 1 0.78272700 0.37337300 0.55790500 1.0 Ti Ti28 1 0.21838200 0.62437000 0.44733400 1.0 Ti Ti29 1 0.88391900 0.62741800 0.44374800 1.0 Ti Ti30 1 0.54963000 0.62582100 0.44238500 1.0 Ti Ti31 1 0.72153800 0.11954600 0.42815800 1.0 Ti Ti32 1 0.38918100 0.11794000 0.42653100 1.0 Ti Ti33 1 0.05206700 0.12555300 0.43171700 1.0 Ti Ti34 1 0.74911700 0.18733400 0.12375100 1.0 Ti Ti35 1 0.41868500 0.18784900 0.12166400 1.0 Ti Ti36 1 0.08223600 0.19214100 0.12036300 1.0 O O37 1 0.11165400 0.69404500 0.93903900 1.0 O O38 1 0.77756800 0.69538800 0.94020900 1.0 O O39 1 0.44605600 0.69428300 0.93954000 1.0 O O40 1 0.04683500 0.94231700 0.85015800 1.0 O O41 1 0.70920000 0.94394900 0.84928400 1.0 O O42 1 0.37527300 0.94525900 0.84865700 1.0 O O43 1 0.35728500 0.48901100 0.89041600 1.0 O O44 1 0.02082900 0.48701500 0.88821100 1.0 O O45 1 0.69116100 0.48300600 0.89301400 1.0 O O46 1 0.79896200 0.12667100 0.95578800 1.0 O O47 1 0.13069700 0.12360000 0.95096700 1.0 O O48 1 0.46856300 0.12309300 0.95462300 1.0 O O49 1 0.95336700 0.78052700 0.72611000 1.0 O O50 1 0.61748700 0.78372200 0.72551900 1.0 O O51 1 0.28432500 0.78143100 0.72647700 1.0 O O52 1 0.73582000 0.99100200 0.59294300 1.0 O O53 1 0.40291200 0.99119100 0.59418700 1.0 O O54 1 0.07262300 0.99169000 0.59525200 1.0 O O55 1 0.61521800 0.31932400 0.65737100 1.0 O O56 1 0.28724400 0.31206700 0.65308900 1.0 O O57 1 0.95252900 0.31892800 0.65731600 1.0 O O58 1 0.38588500 0.55226700 0.57044500 1.0 O O59 1 0.72137500 0.55191500 0.56975000 1.0 O O60 1 0.05536800 0.55269800 0.57104100 1.0 O O61 1 0.15260400 0.78367300 0.51274000 1.0 O O62 1 0.82160100 0.77848100 0.51842200 1.0 O O63 1 0.48770900 0.77812700 0.51740800 1.0 O O64 1 0.51420000 0.21712100 0.48612800 1.0 O O65 1 0.17986800 0.21751700 0.48706100 1.0 O O66 1 0.84487700 0.22232600 0.48227200 1.0 O O67 1 0.27932300 0.44601300 0.43071300 1.0 O O68 1 0.61142000 0.44629400 0.43160700 1.0 O O69 1 0.94791500 0.44606400 0.43238100 1.0 O O70 1 0.05171100 0.67893100 0.34432200 1.0 O O71 1 0.71965800 0.67201800 0.34410300 1.0 O O72 1 0.37989100 0.68028600 0.34675000 1.0 O O73 1 0.93162500 0.01002600 0.40844800 1.0 O O74 1 0.59530600 0.00915600 0.40740600 1.0 O O75 1 0.26043300 0.00929700 0.40652500 1.0 O O76 1 0.71413200 0.22028700 0.27375300 1.0 O O77 1 0.38105000 0.21978400 0.27300900 1.0 O O78 1 0.04867900 0.21895300 0.27319400 1.0 O O79 1 0.86792800 0.87358700 0.04284000 1.0 O O80 1 0.53469200 0.87608200 0.04146500 1.0 O O81 1 0.19852500 0.87628400 0.04684800 1.0 O O82 1 0.30930900 0.51111900 0.10920900 1.0 O O83 1 0.97530300 0.51643400 0.10732100 1.0 O O84 1 0.64560600 0.51321100 0.11209200 1.0 O O85 1 0.62201600 0.06004900 0.14839300 1.0 O O86 1 0.28545800 0.05962700 0.14717800 1.0 O O87 1 0.95889700 0.05866700 0.14932500 1.0 O O88 1 0.55427500 0.30575300 0.06165500 1.0 O O89 1 0.22175400 0.30557000 0.05975500 1.0 O O90 1 0.88842900 0.30540300 0.05912900 1.0