# generated using pymatgen data_Li9Mn21O40 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.04046063 _cell_length_b 10.04046063 _cell_length_c 10.04046063 _cell_angle_alpha 99.60060518 _cell_angle_beta 99.60060518 _cell_angle_gamma 131.79302223 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li9Mn21O40 _chemical_formula_sum 'Li9 Mn21 O40' _cell_volume 688.84565589 _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 0.40005400 0.19991300 0.59996700 1.0 Li Li1 1 0.80008700 0.40005400 0.20014100 1.0 Li Li2 1 0.19991300 0.59994600 0.79985900 1.0 Li Li3 1 0.45113300 0.35069600 0.30113800 1.0 Li Li4 1 0.59994600 0.80008700 0.40003300 1.0 Li Li5 1 0.85000600 0.54886700 0.89956400 1.0 Li Li6 1 0.25000000 0.75000000 0.50000000 1.0 Li Li7 1 0.64930400 0.95044200 0.10043600 1.0 Li Li8 1 0.04955800 0.14999400 0.69886200 1.0 Mn Mn9 1 0.92515500 0.77510800 0.44995000 1.0 Mn Mn10 1 0.72222400 0.67191800 0.15096100 1.0 Mn Mn11 1 0.42873700 0.27777600 0.94969400 1.0 Mn Mn12 1 0.32766200 0.97441900 0.05118600 1.0 Mn Mn13 1 0.12502400 0.87303200 0.74720900 1.0 Mn Mn14 1 0.72352400 0.67233800 0.64675800 1.0 Mn Mn15 1 0.82493000 0.47461700 0.54991800 1.0 Mn Mn16 1 0.72498800 0.17507000 0.64968700 1.0 Mn Mn17 1 0.52538300 0.07530100 0.35031300 1.0 Mn Mn18 1 0.12696800 0.87417700 0.25199200 1.0 Mn Mn19 1 0.22489200 0.67484200 0.15004700 1.0 Mn Mn20 1 0.12582300 0.37781500 0.25279100 1.0 Mn Mn21 1 0.92323300 0.27647600 0.94881400 1.0 Mn Mn22 1 0.00000000 0.00000000 0.00000000 1.0 Mn Mn23 1 0.52479400 0.07484500 0.84995300 1.0 Mn Mn24 1 0.62218500 0.87497600 0.74800800 1.0 Mn Mn25 1 0.52095700 0.57126300 0.84903900 1.0 Mn Mn26 1 0.32515800 0.47520600 0.55005000 1.0 Mn Mn27 1 0.92469900 0.27501200 0.45008200 1.0 Mn Mn28 1 0.02558100 0.07676700 0.35324200 1.0 Mn Mn29 1 0.32808200 0.47904300 0.05030600 1.0 O O30 1 0.15128500 0.00647600 0.43446300 1.0 O O31 1 0.97251300 0.91728900 0.16582200 1.0 O O32 1 0.88313200 0.64875600 0.25562900 1.0 O O33 1 0.65758100 0.52347900 0.95533000 1.0 O O34 1 0.55154200 0.20646000 0.03415700 1.0 O O35 1 0.37249600 0.11686800 0.76562400 1.0 O O36 1 0.19330900 0.02748700 0.94477600 1.0 O O37 1 0.28317700 0.84871500 0.85519100 1.0 O O38 1 0.96695800 0.90084500 0.64466900 1.0 O O39 1 0.87764500 0.63288400 0.73381500 1.0 O O40 1 0.05634800 0.72144900 0.55431700 1.0 O O41 1 0.69855800 0.54269600 0.46485800 1.0 O O42 1 0.95114500 0.40642200 0.63409800 1.0 O O43 1 0.77232400 0.31704800 0.36590200 1.0 O O44 1 0.59357800 0.22767600 0.54472300 1.0 O O45 1 0.68295200 0.04885500 0.45527700 1.0 O O46 1 0.36711600 0.10093000 0.24476100 1.0 O O47 1 0.27855100 0.83286900 0.33489900 1.0 O O48 1 0.45730400 0.92216200 0.15586200 1.0 O O49 1 0.09915500 0.74382400 0.06611400 1.0 O O50 1 0.35124400 0.60687300 0.23437600 1.0 O O51 1 0.99352400 0.42798600 0.14480900 1.0 O O52 1 0.17230300 0.51738400 0.96584300 1.0 O O53 1 0.08271100 0.24853300 0.05522400 1.0 O O54 1 0.76630000 0.30144200 0.84413800 1.0 O O55 1 0.67771000 0.03304200 0.93388600 1.0 O O56 1 0.85616900 0.12235500 0.75523900 1.0 O O57 1 0.49797000 0.94365200 0.66510100 1.0 O O58 1 0.75146700 0.80669100 0.83417800 1.0 O O59 1 0.57201400 0.71682300 0.56553700 1.0 O O60 1 0.39312700 0.62750400 0.74437100 1.0 O O61 1 0.48261600 0.44845800 0.65491800 1.0 O O62 1 0.16713100 0.50203000 0.44568300 1.0 O O63 1 0.07783800 0.23370000 0.53514200 1.0 O O64 1 0.25617600 0.32229000 0.35533100 1.0 O O65 1 0.89907000 0.14383100 0.26618500 1.0 O O66 1 0.79354000 0.82769700 0.34508200 1.0 O O67 1 0.56814800 0.70225100 0.04467000 1.0 O O68 1 0.47652100 0.43185200 0.13410300 1.0 O O69 1 0.29774900 0.34241900 0.86589700 1.0