# generated using pymatgen data_TiMn9O20 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.80720200 _cell_length_b 5.82276400 _cell_length_c 24.04637762 _cell_angle_alpha 96.87161806 _cell_angle_beta 89.95905772 _cell_angle_gamma 119.87012393 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiMn9O20 _chemical_formula_sum 'Ti2 Mn18 O40' _cell_volume 698.38446150 _cell_formula_units_Z 2 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 Ti Ti0 1 0.12006500 0.49628000 0.87543000 1.0 Ti Ti1 1 0.12376000 0.50072800 0.37496400 1.0 Mn Mn2 1 0.32320700 0.69956900 0.97543300 1.0 Mn Mn3 1 0.12177000 0.99761600 0.87492000 1.0 Mn Mn4 1 0.72527000 0.60052900 0.67451500 1.0 Mn Mn5 1 0.62112400 0.99654600 0.87492000 1.0 Mn Mn6 1 0.92191200 0.29729900 0.77464400 1.0 Mn Mn7 1 0.72404400 0.09961200 0.67481800 1.0 Mn Mn8 1 0.22465100 0.59854300 0.67479800 1.0 Mn Mn9 1 0.82422000 0.20242400 0.47546600 1.0 Mn Mn10 1 0.32397700 0.70209800 0.47555900 1.0 Mn Mn11 1 0.52514200 0.90229000 0.57508400 1.0 Mn Mn12 1 0.92382400 0.80103100 0.27435100 1.0 Mn Mn13 1 0.42312800 0.80001700 0.27428800 1.0 Mn Mn14 1 0.52332100 0.39904200 0.07529500 1.0 Mn Mn15 1 0.32430300 0.20202500 0.47571400 1.0 Mn Mn16 1 0.52267100 0.89887000 0.07514700 1.0 Mn Mn17 1 0.92270300 0.30053600 0.27432400 1.0 Mn Mn18 1 0.72299600 0.09842800 0.17484100 1.0 Mn Mn19 1 0.02296900 0.39880300 0.07525800 1.0 O O20 1 0.00919600 0.62379300 0.92322700 1.0 O O21 1 0.45593300 0.62315300 0.92312600 1.0 O O22 1 0.05303800 0.66184700 0.72189200 1.0 O O23 1 0.45105800 0.06274500 0.92179200 1.0 O O24 1 0.27687300 0.89084700 0.83338700 1.0 O O25 1 0.96550800 0.10227900 0.91665800 1.0 O O26 1 0.83714700 0.97749700 0.62772000 1.0 O O27 1 0.23426100 0.37091200 0.82712400 1.0 O O28 1 0.78660800 0.37072500 0.82706400 1.0 O O29 1 0.61147500 0.22363000 0.72143900 1.0 O O30 1 0.05261300 0.22169400 0.72171000 1.0 O O31 1 0.65416300 0.82636900 0.52223100 1.0 O O32 1 0.65350300 0.26687600 0.52238400 1.0 O O33 1 0.47711500 0.09046600 0.43446600 1.0 O O34 1 0.87831300 0.48783900 0.63357800 1.0 O O35 1 0.79252500 0.93252900 0.82798000 1.0 O O36 1 0.39682500 0.53693700 0.62751600 1.0 O O37 1 0.57171900 0.71115400 0.71574200 1.0 O O38 1 0.17055400 0.31400800 0.51657600 1.0 O O39 1 0.44004700 0.57908000 0.42926300 1.0 O O40 1 0.39408100 0.97580700 0.62809200 1.0 O O41 1 0.59335000 0.17577900 0.22737700 1.0 O O42 1 0.99310300 0.57966400 0.42911600 1.0 O O43 1 0.21298900 0.82621100 0.52264600 1.0 O O44 1 0.80745100 0.42403000 0.32081900 1.0 O O45 1 0.07634700 0.68845900 0.23334600 1.0 O O46 1 0.25496400 0.87100100 0.32044900 1.0 O O47 1 0.36975300 0.51097300 0.11629900 1.0 O O48 1 0.99342900 0.13186600 0.42929800 1.0 O O49 1 0.76992300 0.91248900 0.31542900 1.0 O O50 1 0.59464800 0.73504100 0.22758400 1.0 O O51 1 0.19458300 0.33547000 0.02820500 1.0 O O52 1 0.03482500 0.17658400 0.22740100 1.0 O O53 1 0.63488300 0.77562200 0.02824300 1.0 O O54 1 0.19325700 0.77561000 0.02837000 1.0 O O55 1 0.41094000 0.02255400 0.12221600 1.0 O O56 1 0.25414600 0.42285400 0.32070300 1.0 O O57 1 0.85269400 0.02201100 0.12197200 1.0 O O58 1 0.85199800 0.46292000 0.12223200 1.0 O O59 1 0.67628600 0.28722900 0.03422300 1.0