# generated using pymatgen data_Li15Mn21O43 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.89282100 _cell_length_b 5.89430245 _cell_length_c 29.28848630 _cell_angle_alpha 88.96023543 _cell_angle_beta 89.22092831 _cell_angle_gamma 61.80300148 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li15Mn21O43 _chemical_formula_sum 'Li15 Mn21 O43' _cell_volume 896.42031637 _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 0.13014100 0.11976200 0.98283200 1.0 Li Li1 1 0.46713200 0.45479400 0.81929800 1.0 Li Li2 1 0.15946800 0.69770200 0.91218800 1.0 Li Li3 1 0.79193300 0.78878500 0.64949600 1.0 Li Li4 1 0.11407900 0.11538000 0.48309400 1.0 Li Li5 1 0.19120400 0.19003200 0.66905500 1.0 Li Li6 1 0.16212800 0.18059500 0.85367800 1.0 Li Li7 1 0.44089100 0.44201600 0.32186300 1.0 Li Li8 1 0.50709900 0.50699200 0.69013800 1.0 Li Li9 1 0.66688600 0.66610500 0.41561000 1.0 Li Li10 1 0.82652100 0.83315000 0.14679200 1.0 Li Li11 1 0.84575700 0.84416400 0.51566700 1.0 Li Li12 1 0.19132100 0.18562000 0.35456900 1.0 Li Li13 1 0.50925200 0.50245700 0.18560200 1.0 Li Li14 1 0.83786400 0.83921300 0.01921200 1.0 Mn Mn15 1 0.51429600 0.51861800 0.00128100 1.0 Mn Mn16 1 0.65834800 0.66983400 0.91624000 1.0 Mn Mn17 1 0.84965300 0.83503500 0.83688800 1.0 Mn Mn18 1 0.00398900 0.99919600 0.74999200 1.0 Mn Mn19 1 0.68730400 0.15807300 0.91434900 1.0 Mn Mn20 1 0.49204300 0.01640800 0.74684200 1.0 Mn Mn21 1 0.33491700 0.33370400 0.58461900 1.0 Mn Mn22 1 0.02256900 0.48538700 0.74689400 1.0 Mn Mn23 1 0.83110500 0.35422900 0.58125200 1.0 Mn Mn24 1 0.51099400 0.51323800 0.50039200 1.0 Mn Mn25 1 0.35489800 0.82970300 0.58134600 1.0 Mn Mn26 1 0.15647900 0.69510300 0.41324000 1.0 Mn Mn27 1 0.49176200 0.01715000 0.24675600 1.0 Mn Mn28 1 0.83882400 0.84191100 0.33583200 1.0 Mn Mn29 1 0.67407800 0.16286400 0.41552000 1.0 Mn Mn30 1 0.99847200 0.99688900 0.24974800 1.0 Mn Mn31 1 0.16365900 0.16850900 0.16571100 1.0 Mn Mn32 1 0.33790700 0.33919000 0.08258100 1.0 Mn Mn33 1 0.01662700 0.49193300 0.24691100 1.0 Mn Mn34 1 0.83691600 0.33966100 0.08370100 1.0 Mn Mn35 1 0.33844500 0.83824800 0.08411200 1.0 O O36 1 0.51197500 0.48335200 0.88400800 1.0 O O37 1 0.78796100 0.35697300 0.95643100 1.0 O O38 1 0.36319100 0.78638400 0.95751700 1.0 O O39 1 0.95298200 0.54337000 0.87461700 1.0 O O40 1 0.53814800 0.97521600 0.87602800 1.0 O O41 1 0.83119200 0.82462600 0.71695600 1.0 O O42 1 0.11751500 0.67946000 0.78980200 1.0 O O43 1 0.79915200 0.85051600 0.95109300 1.0 O O44 1 0.68937100 0.10840300 0.78951800 1.0 O O45 1 0.99561300 0.99444100 0.87218500 1.0 O O46 1 0.31703300 0.86235700 0.71597000 1.0 O O47 1 0.86456700 0.31323600 0.71599900 1.0 O O48 1 0.16420300 0.16392900 0.55039900 1.0 O O49 1 0.46410400 0.01634400 0.61981800 1.0 O O50 1 0.16790800 0.16368200 0.78447900 1.0 O O51 1 0.01779200 0.46345300 0.61954300 1.0 O O52 1 0.33389700 0.33565100 0.71011800 1.0 O O53 1 0.64466400 0.21216900 0.54579400 1.0 O O54 1 0.21331600 0.64467500 0.54558000 1.0 O O55 1 0.48010700 0.48982800 0.38514200 1.0 O O56 1 0.77661000 0.33317800 0.46022700 1.0 O O57 1 0.50467500 0.50280100 0.61780800 1.0 O O58 1 0.33041100 0.78073200 0.45916300 1.0 O O59 1 0.66629700 0.66696900 0.53759700 1.0 O O60 1 0.00199900 0.54759100 0.37461100 1.0 O O61 1 0.80813600 0.80946600 0.21568400 1.0 O O62 1 0.54731900 0.99986800 0.37376500 1.0 O O63 1 0.11791300 0.68303900 0.28784700 1.0 O O64 1 0.85105500 0.83903000 0.44923000 1.0 O O65 1 0.02498300 0.99462800 0.37813200 1.0 O O66 1 0.68330800 0.11961200 0.28778700 1.0 O O67 1 0.30803600 0.87520600 0.20987200 1.0 O O68 1 0.01369200 0.02337800 0.12222900 1.0 O O69 1 0.87623900 0.30699200 0.21011100 1.0 O O70 1 0.15047200 0.20595000 0.04729200 1.0 O O71 1 0.18446900 0.18324500 0.28479900 1.0 O O72 1 0.45317200 0.02248900 0.12383900 1.0 O O73 1 0.01296000 0.45967100 0.12463500 1.0 O O74 1 0.31850600 0.32154300 0.20149700 1.0 O O75 1 0.66543800 0.21315400 0.04213800 1.0 O O76 1 0.21493300 0.65995600 0.04323200 1.0 O O77 1 0.52423600 0.46745100 0.11851600 1.0 O O78 1 0.67208900 0.66093200 0.05111300 1.0