# generated using pymatgen data_Li9Mn21O40 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.98781696 _cell_length_b 5.98558494 _cell_length_c 21.48813704 _cell_angle_alpha 97.52777079 _cell_angle_beta 82.46905141 _cell_angle_gamma 86.59724671 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li9Mn21O40 _chemical_formula_sum 'Li9 Mn21 O40' _cell_volume 754.62617813 _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 0.97644500 0.77355500 0.04711200 1.0 Li Li1 1 0.37355300 0.37644700 0.25289300 1.0 Li Li2 1 0.82580000 0.42420000 0.34839800 1.0 Li Li3 1 0.77291300 0.97708700 0.45417600 1.0 Li Li4 1 0.22565800 0.02434200 0.54868400 1.0 Li Li5 1 0.57708000 0.17292000 0.84583800 1.0 Li Li6 1 0.17500400 0.57499600 0.64999300 1.0 Li Li7 1 0.62436900 0.62563100 0.75126300 1.0 Li Li8 1 0.02422200 0.22577800 0.95155600 1.0 Mn Mn9 1 0.49929700 0.00081100 0.99758700 1.0 Mn Mn10 1 0.89806200 0.10400700 0.20085500 1.0 Mn Mn11 1 0.50311600 0.49677500 0.99758700 1.0 Mn Mn12 1 0.70409900 0.29814400 0.09920400 1.0 Mn Mn13 1 0.19669800 0.30106000 0.09920400 1.0 Mn Mn14 1 0.90108300 0.59684800 0.20085500 1.0 Mn Mn15 1 0.42500500 0.82499500 0.14999100 1.0 Mn Mn16 1 0.29910700 0.20074800 0.40133200 1.0 Mn Mn17 1 0.60068200 0.89921200 0.30244300 1.0 Mn Mn18 1 0.90254500 0.09793200 0.69932200 1.0 Mn Mn19 1 0.69796500 0.30251300 0.60066500 1.0 Mn Mn20 1 0.29956200 0.70058400 0.40133200 1.0 Mn Mn21 1 0.49926700 0.49989800 0.50088600 1.0 Mn Mn22 1 0.09687500 0.90323100 0.30244300 1.0 Mn Mn23 1 0.70136900 0.79815100 0.60066500 1.0 Mn Mn24 1 0.39813200 0.10139000 0.69932200 1.0 Mn Mn25 1 0.99984700 0.50098800 0.50088600 1.0 Mn Mn26 1 0.80073300 0.69910700 0.89867100 1.0 Mn Mn27 1 0.10102600 0.39985000 0.79908200 1.0 Mn Mn28 1 0.09989200 0.89923200 0.79908200 1.0 Mn Mn29 1 0.30059600 0.69956600 0.89867100 1.0 O O30 1 0.94392400 0.07312500 0.10636600 1.0 O O31 1 0.72510900 0.25884200 0.00536900 1.0 O O32 1 0.94971000 0.53324200 0.10636600 1.0 O O33 1 0.26952200 0.24652700 0.00536900 1.0 O O34 1 0.44861900 0.07119400 0.09483000 1.0 O O35 1 0.85888600 0.12512500 0.29467500 1.0 O O36 1 0.45655100 0.52363500 0.09483000 1.0 O O37 1 0.67313300 0.34392400 0.19366700 1.0 O O38 1 0.13320100 0.34974300 0.19366700 1.0 O O39 1 0.67108200 0.84859500 0.20517000 1.0 O O40 1 0.35605000 0.13262800 0.30954600 1.0 O O41 1 0.84643900 0.66955000 0.29467500 1.0 O O42 1 0.33440400 0.67691700 0.30954600 1.0 O O43 1 0.12374600 0.85657500 0.20517000 1.0 O O44 1 0.51363500 0.43953800 0.40356400 1.0 O O45 1 0.73293600 0.27366900 0.50899600 1.0 O O46 1 0.91835700 0.04885000 0.60621800 1.0 O O47 1 0.92016300 0.54036700 0.59803700 1.0 O O48 1 0.51562400 0.93791600 0.39940500 1.0 O O49 1 0.75806700 0.73532800 0.50899600 1.0 O O50 1 0.08280100 0.46402600 0.40356400 1.0 O O51 1 0.47542500 0.05736800 0.60621800 1.0 O O52 1 0.24042200 0.26672500 0.49307500 1.0 O O53 1 0.87372300 0.13289100 0.79098100 1.0 O O54 1 0.48180100 0.55766900 0.59803700 1.0 O O55 1 0.08497100 0.96148800 0.39940500 1.0 O O56 1 0.26650200 0.72635100 0.49307500 1.0 O O57 1 0.64904700 0.31840400 0.69373700 1.0 O O58 1 0.86668400 0.64047400 0.80692000 1.0 O O59 1 0.33529600 0.15809000 0.79098100 1.0 O O60 1 0.65721700 0.87533300 0.69373700 1.0 O O61 1 0.14045700 0.32032100 0.70194800 1.0 O O62 1 0.56148400 0.48491900 0.90062500 1.0 O O63 1 0.15759400 0.88162800 0.70194800 1.0 O O64 1 0.32639600 0.66644700 0.80692000 1.0 O O65 1 0.06403200 0.48276400 0.89641000 1.0 O O66 1 0.73258000 0.75604000 0.99046000 1.0 O O67 1 0.53789000 0.91570600 0.90062500 1.0 O O68 1 0.27695900 0.73442000 0.99046000 1.0 O O69 1 0.03955800 0.91364700 0.89641000 1.0