# generated using pymatgen data_Li9Mn22O48 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.88669293 _cell_length_b 5.88669293 _cell_length_c 28.72216516 _cell_angle_alpha 88.99609455 _cell_angle_beta 88.99609455 _cell_angle_gamma 59.89291245 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li9Mn22O48 _chemical_formula_sum 'Li9 Mn22 O48' _cell_volume 860.85918882 _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 0.83952600 0.83952600 0.97740100 1.0 Li Li1 1 0.49961700 0.49961700 0.81617900 1.0 Li Li2 1 0.17250900 0.17250900 0.64401600 1.0 Li Li3 1 0.82732500 0.82732500 0.85585100 1.0 Li Li4 1 0.83407800 0.83407800 0.48217900 1.0 Li Li5 1 0.50020300 0.50020300 0.68370300 1.0 Li Li6 1 0.16006300 0.16006300 0.52260300 1.0 Li Li7 1 0.49581600 0.49581600 0.18763300 1.0 Li Li8 1 0.16801300 0.16801300 0.01757700 1.0 Mn Mn9 1 0.50092800 0.50092800 0.99751800 1.0 Mn Mn10 1 0.33344000 0.83356200 0.91670200 1.0 Mn Mn11 1 0.99989500 0.99989500 0.74989300 1.0 Mn Mn12 1 0.83356200 0.33344000 0.91670200 1.0 Mn Mn13 1 0.16643100 0.16643100 0.83582800 1.0 Mn Mn14 1 0.99992200 0.49987300 0.74990500 1.0 Mn Mn15 1 0.49987300 0.99992200 0.74990500 1.0 Mn Mn16 1 0.83323900 0.83323900 0.66398700 1.0 Mn Mn17 1 0.66648700 0.16601400 0.58312500 1.0 Mn Mn18 1 0.16601400 0.66648700 0.58312500 1.0 Mn Mn19 1 0.50004700 0.50004700 0.50251700 1.0 Mn Mn20 1 0.99952900 0.99952900 0.25084900 1.0 Mn Mn21 1 0.33402200 0.83336300 0.41647500 1.0 Mn Mn22 1 0.83336300 0.33402200 0.41647500 1.0 Mn Mn23 1 0.17112600 0.17112600 0.33333300 1.0 Mn Mn24 1 0.33439200 0.33439200 0.41629600 1.0 Mn Mn25 1 0.99984900 0.49836500 0.25060200 1.0 Mn Mn26 1 0.49836500 0.99984900 0.25060200 1.0 Mn Mn27 1 0.82902700 0.82902700 0.16609800 1.0 Mn Mn28 1 0.66711000 0.16649100 0.08323700 1.0 Mn Mn29 1 0.16649100 0.66711000 0.08323700 1.0 Mn Mn30 1 0.66659300 0.66659300 0.08341800 1.0 O O31 1 0.67720000 0.20861200 0.96216700 1.0 O O32 1 0.20861200 0.67720000 0.96216700 1.0 O O33 1 0.51499900 0.51499900 0.88302300 1.0 O O34 1 0.65303300 0.65303300 0.95556400 1.0 O O35 1 0.01404400 0.01404400 0.87777600 1.0 O O36 1 0.31228900 0.86687000 0.78796400 1.0 O O37 1 0.45837500 0.98985800 0.87128100 1.0 O O38 1 0.15186000 0.15186000 0.95048400 1.0 O O39 1 0.86687000 0.31228900 0.78796400 1.0 O O40 1 0.16401100 0.16401100 0.71426000 1.0 O O41 1 0.98985800 0.45837500 0.87128100 1.0 O O42 1 0.31322900 0.31322900 0.78896200 1.0 O O43 1 0.00980200 0.54135400 0.62846100 1.0 O O44 1 0.68656700 0.68656700 0.71082000 1.0 O O45 1 0.54135400 0.00980200 0.62846100 1.0 O O46 1 0.83578200 0.83578200 0.78552100 1.0 O O47 1 0.13286200 0.68750100 0.71180400 1.0 O O48 1 0.84810600 0.84810600 0.54927000 1.0 O O49 1 0.98568800 0.98568800 0.62201400 1.0 O O50 1 0.68750100 0.13286200 0.71180400 1.0 O O51 1 0.34714900 0.34714900 0.54400400 1.0 O O52 1 0.64678900 0.20091300 0.45453500 1.0 O O53 1 0.20091300 0.64678900 0.45453500 1.0 O O54 1 0.79183000 0.32311800 0.53778300 1.0 O O55 1 0.50293500 0.50293500 0.38285400 1.0 O O56 1 0.48451200 0.48451200 0.61683400 1.0 O O57 1 0.64724500 0.64724500 0.45558800 1.0 O O58 1 0.32311800 0.79183000 0.53778300 1.0 O O59 1 0.32898200 0.87758500 0.29299500 1.0 O O60 1 0.02355800 0.02355800 0.37839400 1.0 O O61 1 0.46166100 0.02206300 0.37849700 1.0 O O62 1 0.16620400 0.16620400 0.21748900 1.0 O O63 1 0.87758500 0.32898200 0.29299500 1.0 O O64 1 0.16569600 0.16569600 0.45143900 1.0 O O65 1 0.31646900 0.31646900 0.28792700 1.0 O O66 1 0.02206300 0.46166100 0.37849700 1.0 O O67 1 0.97598500 0.53917000 0.12229900 1.0 O O68 1 0.68122900 0.68122900 0.21162200 1.0 O O69 1 0.53917000 0.97598500 0.12229900 1.0 O O70 1 0.12580300 0.67165400 0.20727800 1.0 O O71 1 0.83223100 0.83223100 0.28305000 1.0 O O72 1 0.83033400 0.83033400 0.04761900 1.0 O O73 1 0.97593800 0.97593800 0.12203400 1.0 O O74 1 0.67165400 0.12580300 0.20727800 1.0 O O75 1 0.35404600 0.35404600 0.04445600 1.0 O O76 1 0.80027400 0.35575800 0.04528700 1.0 O O77 1 0.50204900 0.50204900 0.11882600 1.0 O O78 1 0.35575800 0.80027400 0.04528700 1.0