# generated using pymatgen data_Li8Ti7Fe9(PO4)24 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.68776856 _cell_length_b 8.82691916 _cell_length_c 24.37747317 _cell_angle_alpha 89.96583761 _cell_angle_beta 90.00296944 _cell_angle_gamma 90.01034971 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li8Ti7Fe9(PO4)24 _chemical_formula_sum 'Li8 Ti7 Fe9 P24 O96' _cell_volume 1869.41616772 _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 0.03252729 0.47007767 0.21468573 1.0 Li Li1 1 0.03307627 0.03015515 0.71419875 1.0 Li Li2 1 0.46776182 0.52977472 0.71447561 1.0 Li Li3 1 0.46755030 0.97018268 0.21463621 1.0 Li Li4 1 0.53231043 0.47013373 0.28544506 1.0 Li Li5 1 0.53248823 0.03059522 0.78500297 1.0 Li Li6 1 0.96749305 0.97042745 0.28558279 1.0 Li Li7 1 0.96649348 0.53129287 0.78544462 1.0 Ti Ti8 1 0.00102993 0.22127954 0.06688725 1.0 Ti Ti9 1 0.00149657 0.27920629 0.56620325 1.0 Ti Ti10 1 0.49977618 0.72052095 0.06676261 1.0 Ti Ti11 1 0.49873505 0.77923351 0.56622204 1.0 Ti Ti12 1 0.50136998 0.22086094 0.43381160 1.0 Ti Ti13 1 0.50000936 0.27897401 0.93337253 1.0 Ti Ti14 1 0.99866967 0.72096294 0.43372956 1.0 Fe Fe15 1 0.00023271 0.28841705 0.31919210 1.0 Fe Fe16 1 0.99972402 0.21146381 0.81890840 1.0 Fe Fe17 1 0.49935620 0.71190329 0.81888234 1.0 Fe Fe18 1 0.49973605 0.78842240 0.31923303 1.0 Fe Fe19 1 0.50039331 0.28838942 0.18092470 1.0 Fe Fe20 1 0.50035357 0.21185735 0.68074027 1.0 Fe Fe21 1 0.99945444 0.78061843 0.93283525 1.0 Fe Fe22 1 0.99915138 0.78867496 0.18139953 1.0 Fe Fe23 1 0.00020091 0.71180095 0.68021159 1.0 P P24 1 0.14231825 0.14584344 0.19861984 1.0 P P25 1 0.14222062 0.35450768 0.69844151 1.0 P P26 1 0.15009415 0.86948602 0.05443382 1.0 P P27 1 0.15014056 0.63021558 0.55353843 1.0 P P28 1 0.21369349 0.50011987 0.87748980 1.0 P P29 1 0.21428363 0.99903378 0.37716023 1.0 P P30 1 0.28569504 0.49905217 0.37713813 1.0 P P31 1 0.28754570 0.00017239 0.87703170 1.0 P P32 1 0.34987196 0.36988032 0.05394685 1.0 P P33 1 0.35030897 0.13031705 0.55374962 1.0 P P34 1 0.35765283 0.64561304 0.19853844 1.0 P P35 1 0.35788356 0.85410875 0.69830602 1.0 P P36 1 0.64212909 0.14573594 0.30161711 1.0 P P37 1 0.64219398 0.35438884 0.80152107 1.0 P P38 1 0.64957985 0.63018332 0.94635987 1.0 P P39 1 0.64974717 0.86959072 0.44613621 1.0 P P40 1 0.71417547 0.50071965 0.62255844 1.0 P P41 1 0.71422874 0.99933062 0.12280780 1.0 P P42 1 0.78600136 0.49919132 0.12287280 1.0 P P43 1 0.78564848 0.00096912 0.62261771 1.0 P P44 1 0.85028807 0.36957501 0.44613258 1.0 P P45 1 0.85040975 0.13070123 0.94655684 1.0 P P46 1 0.85766018 0.64562919 0.30168144 1.0 P P47 1 0.85727416 0.85435947 0.80063440 1.0 O O48 1 0.07131981 0.77069906 0.01098899 1.0 O O49 1 0.07201478 0.72652542 0.50855970 1.0 O O50 1 0.08187175 0.51424737 0.71358872 1.0 O O51 1 0.08180942 0.98632469 0.21394650 1.0 O O52 1 0.08096083 0.26381667 0.24043462 1.0 O O53 1 0.08114307 0.23660126 0.74053341 1.0 O O54 1 0.08320176 0.19873810 0.14190844 1.0 O O55 1 0.08304112 0.30142802 0.64178676 1.0 O O56 1 0.09893779 0.82140816 0.11163655 1.0 O O57 1 0.09614901 0.68214644 0.60989576 1.0 O O58 1 0.10191878 0.08621434 0.33942291 1.0 O O59 1 0.10143731 0.41450206 0.83913361 1.0 O O60 1 0.11421771 0.03908354 0.04621205 1.0 O O61 1 0.11391719 0.46103384 0.54552605 1.0 O O62 1 0.11521015 0.90387738 0.41703542 1.0 O O63 1 0.11713604 0.59062991 0.91887374 1.0 O O64 1 0.17407941 0.34808268 0.04851642 1.0 O O65 1 0.17430668 0.15250297 0.54832940 1.0 O O66 1 0.17947548 0.85698752 0.70026534 1.0 O O67 1 0.17928493 0.64283320 0.20051387 1.0 O O68 1 0.18137677 0.60430685 0.41068486 1.0 O O69 1 0.18598527 0.89571112 0.91126552 1.0 O O70 1 0.19204097 0.39240938 0.34054030 1.0 O O71 1 0.19063640 0.10664031 0.84086896 1.0 O O72 1 0.30791798 0.89246295 0.34059557 1.0 O O73 1 0.30748656 0.60810506 0.84097981 1.0 O O74 1 0.31864132 0.10427689 0.41076288 1.0 O O75 1 0.31923834 0.39240816 0.90967018 1.0 O O76 1 0.32065524 0.14290653 0.20035630 1.0 O O77 1 0.32066831 0.35725669 0.70028117 1.0 O O78 1 0.32630388 0.84829476 0.04833417 1.0 O O79 1 0.32601797 0.65229522 0.54796021 1.0 O O80 1 0.38461695 0.40367131 0.41698422 1.0 O O81 1 0.38828660 0.09593110 0.91637494 1.0 O O82 1 0.38632584 0.53925888 0.04588332 1.0 O O83 1 0.38608721 0.96112383 0.54560781 1.0 O O84 1 0.39810046 0.58618234 0.33938025 1.0 O O85 1 0.39941152 0.91482964 0.83857685 1.0 O O86 1 0.40458474 0.31810528 0.11018414 1.0 O O87 1 0.40468160 0.18219515 0.61011429 1.0 O O88 1 0.41680846 0.69858534 0.14188105 1.0 O O89 1 0.41677751 0.80126433 0.64160639 1.0 O O90 1 0.41902134 0.76353276 0.24044818 1.0 O O91 1 0.41916667 0.73612590 0.74029194 1.0 O O92 1 0.41818679 0.01397722 0.71343052 1.0 O O93 1 0.41784913 0.48585135 0.21367893 1.0 O O94 1 0.42693686 0.27357529 0.00868947 1.0 O O95 1 0.42811761 0.22658070 0.50867904 1.0 O O96 1 0.57190933 0.77345939 0.49127307 1.0 O O97 1 0.57143023 0.72725923 0.99136009 1.0 O O98 1 0.58194941 0.51427027 0.78641969 1.0 O O99 1 0.58206440 0.98593530 0.28640411 1.0 O O100 1 0.58072120 0.26348492 0.25960919 1.0 O O101 1 0.58074187 0.23686243 0.75948306 1.0 O O102 1 0.58331339 0.19853631 0.35823792 1.0 O O103 1 0.58387038 0.30126110 0.85824533 1.0 O O104 1 0.59388536 0.68220277 0.88999490 1.0 O O105 1 0.59548500 0.81791588 0.38989223 1.0 O O106 1 0.60192832 0.08611367 0.16068690 1.0 O O107 1 0.60199359 0.41384243 0.66053584 1.0 O O108 1 0.61389969 0.03876580 0.45431554 1.0 O O109 1 0.60858426 0.46176517 0.95427150 1.0 O O110 1 0.61496296 0.59609732 0.58273353 1.0 O O111 1 0.61452625 0.90423671 0.08291204 1.0 O O112 1 0.67442305 0.34751066 0.45165700 1.0 O O113 1 0.67521801 0.15711441 0.95237692 1.0 O O114 1 0.67932406 0.64290064 0.29964367 1.0 O O115 1 0.67855914 0.85709488 0.79900120 1.0 O O116 1 0.68168230 0.60461106 0.08925691 1.0 O O117 1 0.68128276 0.89563663 0.58915208 1.0 O O118 1 0.69220419 0.39245091 0.15944803 1.0 O O119 1 0.69209817 0.10793578 0.65942422 1.0 O O120 1 0.80848488 0.60779605 0.65906856 1.0 O O121 1 0.80778246 0.89174783 0.15923090 1.0 O O122 1 0.81833265 0.10455256 0.08917165 1.0 O O123 1 0.81859802 0.39550132 0.58906784 1.0 O O124 1 0.82053203 0.14308524 0.29966171 1.0 O O125 1 0.82075506 0.35721877 0.79974773 1.0 O O126 1 0.82433483 0.64666589 0.95280387 1.0 O O127 1 0.82559907 0.84753278 0.45167075 1.0 O O128 1 0.88442973 0.09669425 0.58272673 1.0 O O129 1 0.88488834 0.40407630 0.08291526 1.0 O O130 1 0.88612064 0.53875933 0.45430403 1.0 O O131 1 0.88101515 0.96182544 0.95545980 1.0 O O132 1 0.89874318 0.58617959 0.16055716 1.0 O O133 1 0.89864084 0.91421735 0.66029513 1.0 O O134 1 0.90494517 0.18098186 0.88989867 1.0 O O135 1 0.90458508 0.31799145 0.38990059 1.0 O O136 1 0.91655139 0.69842668 0.35829557 1.0 O O137 1 0.91612886 0.79845201 0.85650869 1.0 O O138 1 0.91906373 0.76373787 0.25976704 1.0 O O139 1 0.91683052 0.73728917 0.75802506 1.0 O O140 1 0.91794638 0.48606189 0.28640590 1.0 O O141 1 0.91702781 0.01456732 0.78572286 1.0 O O142 1 0.92817517 0.27341868 0.49126120 1.0 O O143 1 0.93063810 0.22645591 0.99129743 1.0