# generated using pymatgen data_Li5Mn12O24 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.83654949 _cell_length_b 6.02082901 _cell_length_c 54.01567563 _cell_angle_alpha 58.15566901 _cell_angle_beta 60.89672459 _cell_angle_gamma 61.02013233 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li5Mn12O24 _chemical_formula_sum 'Li15 Mn36 O72' _cell_volume 1340.83083358 _cell_formula_units_Z 3 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 0.10907728 0.13638768 0.01617206 1.0 Li Li1 1 0.13213111 0.11677799 0.12417897 1.0 Li Li2 1 0.11536814 0.13504891 0.34822349 1.0 Li Li3 1 0.11547382 0.13696566 0.45900470 1.0 Li Li4 1 0.86814249 0.88319168 0.20909054 1.0 Li Li5 1 0.12958651 0.11933732 0.56921428 1.0 Li Li6 1 0.89137362 0.86309049 0.31705542 1.0 Li Li7 1 0.13375229 0.11372414 0.67966611 1.0 Li Li8 1 0.88538495 0.86683027 0.42916353 1.0 Li Li9 1 0.13751904 0.11008117 0.79056743 1.0 Li Li10 1 0.87708804 0.87191643 0.54184802 1.0 Li Li11 1 0.86345390 0.88572293 0.65402265 1.0 Li Li12 1 0.86192588 0.88370665 0.76586427 1.0 Li Li13 1 0.86510618 0.88627235 0.87602797 1.0 Li Li14 1 0.89102360 0.86354812 0.98380330 1.0 Mn Mn15 1 0.99609113 0.50828428 0.05564284 1.0 Mn Mn16 1 0.49483121 0.50827815 0.05562035 1.0 Mn Mn17 1 0.00006261 0.49976315 0.16666728 1.0 Mn Mn18 1 0.50818704 0.48664850 0.11071623 1.0 Mn Mn19 1 0.49995461 0.00011189 0.16665426 1.0 Mn Mn20 1 0.49533164 0.00099215 0.05647224 1.0 Mn Mn21 1 0.50014472 0.49988596 0.16665556 1.0 Mn Mn22 1 0.00476977 0.49273612 0.27739471 1.0 Mn Mn23 1 0.49244796 0.51454953 0.22234151 1.0 Mn Mn24 1 0.50574016 0.49269016 0.27738709 1.0 Mn Mn25 1 0.00097828 0.50056525 0.38864659 1.0 Mn Mn26 1 0.50229320 0.50059393 0.33264109 1.0 Mn Mn27 1 0.50550137 0.00065784 0.27647963 1.0 Mn Mn28 1 0.00016900 0.50395660 0.50006721 1.0 Mn Mn29 1 0.50053621 0.50054395 0.38861667 1.0 Mn Mn30 1 0.49815613 -0.00099580 0.50053578 1.0 Mn Mn31 1 0.50117346 0.49810683 0.44418936 1.0 Mn Mn32 1 0.50057288 0.00092361 0.38866811 1.0 Mn Mn33 1 0.49581125 0.50411699 0.50003192 1.0 Mn Mn34 1 -0.00092746 0.50136267 0.61120322 1.0 Mn Mn35 1 0.50832726 0.48389700 0.55579103 1.0 Mn Mn36 1 0.49869908 0.50151258 0.61120372 1.0 Mn Mn37 1 -0.00136236 0.50102720 0.72236223 1.0 Mn Mn38 1 0.49896135 -0.00062782 0.72240960 1.0 Mn Mn39 1 0.49882057 0.49849448 0.66691421 1.0 Mn Mn40 1 0.49893607 -0.00207304 0.61162093 1.0 Mn Mn41 1 0.49862048 0.50091284 0.72235404 1.0 Mn Mn42 1 0.49847826 0.50071546 0.77805385 1.0 Mn Mn43 1 0.49730392 0.49658335 0.83430388 1.0 Mn Mn44 1 0.00354565 0.49192185 0.94440550 1.0 Mn Mn45 1 0.48861327 0.51806170 0.88951185 1.0 Mn Mn46 1 0.49972986 0.00250849 0.83310347 1.0 Mn Mn47 1 0.50483212 0.00018044 0.94337871 1.0 Mn Mn48 1 0.50503727 0.49201076 0.94441594 1.0 Mn Mn49 1 -0.00184378 0.49681499 0.83425383 1.0 Mn Mn50 1 0.50024167 0.50112331 -0.00016844 1.0 O O51 1 0.24556503 0.27768743 0.03102581 1.0 O O52 1 0.25025054 0.28345582 0.07952754 1.0 O O53 1 0.24698666 0.72442026 0.03130518 1.0 O O54 1 0.69745714 0.27791346 0.03099519 1.0 O O55 1 0.27543122 0.24942851 0.13945511 1.0 O O56 1 0.30317313 0.72171230 0.08109117 1.0 O O57 1 0.74674389 0.72605014 0.03119775 1.0 O O58 1 0.27787807 0.25500551 0.18771318 1.0 O O59 1 0.73110080 0.29907056 0.08196428 1.0 O O60 1 0.28110462 0.69959193 0.13743149 1.0 O O61 1 0.72036235 0.24861206 0.13910037 1.0 O O62 1 0.74451548 0.72175752 0.08109683 1.0 O O63 1 0.27997942 0.75167229 0.19415674 1.0 O O64 1 0.25554444 0.27904158 0.25206562 1.0 O O65 1 0.72227285 0.74553545 0.14552175 1.0 O O66 1 0.71882645 0.30095514 0.19584742 1.0 O O67 1 0.26901920 0.70212972 0.25116712 1.0 O O68 1 0.25236490 0.27675111 0.30198878 1.0 O O69 1 0.72455345 0.75081301 0.19381156 1.0 O O70 1 0.69723462 0.27908220 0.25207879 1.0 O O71 1 0.25089648 0.27527906 0.36364224 1.0 O O72 1 0.30271768 0.72293588 0.30211635 1.0 O O73 1 0.75388618 0.27511313 0.30183694 1.0 O O74 1 0.75138606 0.71545660 0.25352652 1.0 O O75 1 0.24871540 0.28219510 0.41332382 1.0 O O76 1 0.24953243 0.72124472 0.36438512 1.0 O O77 1 0.75453325 0.72290449 0.30212825 1.0 O O78 1 0.70069645 0.27600187 0.36359347 1.0 O O79 1 0.24682642 0.27417128 0.47538568 1.0 O O80 1 0.30044114 0.72520804 0.41383822 1.0 O O81 1 0.75137386 0.27893486 0.41311118 1.0 O O82 1 0.75243646 0.71945565 0.36397881 1.0 O O83 1 0.24884479 0.28486334 0.52427126 1.0 O O84 1 0.24813254 0.72375370 0.47550310 1.0 O O85 1 0.69920476 0.27409162 0.47528603 1.0 O O86 1 0.74902882 0.72530125 0.41386501 1.0 O O87 1 0.28153854 0.24496264 0.58366270 1.0 O O88 1 0.29780704 0.72468979 0.52585526 1.0 O O89 1 0.73881213 0.28842966 0.52609145 1.0 O O90 1 0.74968999 0.71995192 0.47562079 1.0 O O91 1 0.27655479 0.70208582 0.58291891 1.0 O O92 1 0.27311395 0.25092128 0.63354633 1.0 O O93 1 0.74715060 0.72473435 0.52586359 1.0 O O94 1 0.72233406 0.24384306 0.58375649 1.0 O O95 1 0.27920813 0.24943877 0.69439817 1.0 O O96 1 0.27735079 0.75091701 0.63915491 1.0 O O97 1 0.72658953 0.74986517 0.58867705 1.0 O O98 1 0.72470731 0.30088381 0.63869355 1.0 O O99 1 0.27357992 0.69905663 0.69469972 1.0 O O100 1 0.27448669 0.24966475 0.74457796 1.0 O O101 1 0.72037040 0.24933405 0.69424718 1.0 O O102 1 0.71861221 0.75035265 0.63916269 1.0 O O103 1 0.28044850 0.25142523 0.80517286 1.0 O O104 1 0.27772528 0.75206338 0.75022410 1.0 O O105 1 0.27629826 0.69817860 0.80562445 1.0 O O106 1 0.72493553 0.30056168 0.74995850 1.0 O O107 1 0.72377468 0.75066828 0.70003772 1.0 O O108 1 0.27843462 0.24898088 0.85491563 1.0 O O109 1 0.72258198 0.25111359 0.80508275 1.0 O O110 1 0.71911939 0.75235442 0.75005612 1.0 O O111 1 0.27728903 0.75785294 0.86089492 1.0 O O112 1 0.25501020 0.28003369 0.91889390 1.0 O O113 1 0.72562790 0.74420836 0.81170569 1.0 O O114 1 0.71585709 0.30166471 0.86304167 1.0 O O115 1 0.26677659 0.70245030 0.91833162 1.0 O O116 1 0.25354359 0.27281932 0.96888716 1.0 O O117 1 0.69571018 0.28035805 0.91887017 1.0 O O118 1 0.71812614 0.75815331 0.86079600 1.0 O O119 1 0.30252651 0.72202179 0.96913995 1.0 O O120 1 0.74920774 0.71669492 0.92059873 1.0 O O121 1 0.75269912 0.27492181 0.96883592 1.0 O O122 1 0.75321189 0.72230965 0.96911191 1.0