# generated using pymatgen data_Na9Ti20O40 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.64753304 _cell_length_b 10.64753304 _cell_length_c 10.64753304 _cell_angle_alpha 99.59265946 _cell_angle_beta 99.59265946 _cell_angle_gamma 131.81404225 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na9Ti20O40 _chemical_formula_sum 'Na9 Ti20 O40' _cell_volume 821.29874527 _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 Na Na0 1 0.85054100 0.55203300 0.90061000 1.0 Na Na1 1 0.05006900 0.14945900 0.70149100 1.0 Na Na2 1 0.39991400 0.20015900 0.60008200 1.0 Na Na3 1 0.20016800 0.60008600 0.80024500 1.0 Na Na4 1 0.44796700 0.34857800 0.29850900 1.0 Na Na5 1 0.25000000 0.75000000 0.50000000 1.0 Na Na6 1 0.79984100 0.39992300 0.19975500 1.0 Na Na7 1 0.60007700 0.79983200 0.39991800 1.0 Na Na8 1 0.65142200 0.94993100 0.09939000 1.0 Ti Ti9 1 0.53132400 0.58036000 0.85226600 1.0 Ti Ti10 1 0.41964000 0.27190600 0.95096500 1.0 Ti Ti11 1 0.32196600 0.97573600 0.04905000 1.0 Ti Ti12 1 0.12427500 0.87678300 0.75317000 1.0 Ti Ti13 1 0.72708400 0.67803400 0.65377000 1.0 Ti Ti14 1 0.92668500 0.27291600 0.95095000 1.0 Ti Ti15 1 0.52514900 0.07572600 0.84932400 1.0 Ti Ti16 1 0.32094100 0.46867600 0.04903500 1.0 Ti Ti17 1 0.02426400 0.07331500 0.34623000 1.0 Ti Ti18 1 0.82503100 0.47558300 0.54899000 1.0 Ti Ti19 1 0.92427400 0.77359700 0.44942300 1.0 Ti Ti20 1 0.62889500 0.87572500 0.75250800 1.0 Ti Ti21 1 0.72395900 0.17496900 0.65055200 1.0 Ti Ti22 1 0.12321700 0.87638700 0.24749200 1.0 Ti Ti23 1 0.72809400 0.67905900 0.14773400 1.0 Ti Ti24 1 0.52441700 0.07340700 0.34944800 1.0 Ti Ti25 1 0.32417400 0.47485100 0.55057700 1.0 Ti Ti26 1 0.92659300 0.27604100 0.45101000 1.0 Ti Ti27 1 0.22640300 0.67582600 0.15067600 1.0 Ti Ti28 1 0.12361300 0.37110500 0.24683000 1.0 O O29 1 0.56292300 0.69112800 0.04285100 1.0 O O30 1 0.30887200 0.35172300 0.87179500 1.0 O O31 1 0.64827700 0.52007200 0.95714900 1.0 O O32 1 0.54154800 0.19930800 0.02797800 1.0 O O33 1 0.19928300 0.02857800 0.94303500 1.0 O O34 1 0.74375200 0.80071700 0.82929600 1.0 O O35 1 0.57180000 0.71440600 0.57238700 1.0 O O36 1 0.17133000 0.51357000 0.97202200 1.0 O O37 1 0.28559400 0.85798100 0.85739300 1.0 O O38 1 0.37087300 0.11402900 0.77208600 1.0 O O39 1 0.48643000 0.45845200 0.65776000 1.0 O O40 1 0.87833300 0.63506300 0.72745100 1.0 O O41 1 0.67798700 0.03621700 0.92789400 1.0 O O42 1 0.76419600 0.29243500 0.84285700 1.0 O O43 1 0.96378300 0.89167700 0.64177000 1.0 O O44 1 0.04928300 0.72147400 0.55742600 1.0 O O45 1 0.50814300 0.95071700 0.67219100 1.0 O O46 1 0.84911700 0.12166700 0.75672900 1.0 O O47 1 0.70756500 0.55042200 0.47176100 1.0 O O48 1 0.24990700 0.32201300 0.35823000 1.0 O O49 1 0.60052300 0.22861100 0.54266300 1.0 O O50 1 0.40121200 0.62912700 0.74315500 1.0 O O51 1 0.80069200 0.82867000 0.34224000 1.0 O O52 1 0.14201900 0.99941300 0.42761300 1.0 O O53 1 0.94214000 0.39947700 0.62808700 1.0 O O54 1 0.97142200 0.91445600 0.17070400 1.0 O O55 1 0.88597100 0.65805700 0.25684500 1.0 O O56 1 0.68594700 0.05786000 0.45733700 1.0 O O57 1 0.77138900 0.31405300 0.37191300 1.0 O O58 1 0.36493700 0.09238800 0.24327100 1.0 O O59 1 0.47992800 0.43707700 0.12820500 1.0 O O60 1 0.16404800 0.49185700 0.44257400 1.0 O O61 1 0.27852600 0.83595200 0.32780900 1.0 O O62 1 0.07866100 0.23580400 0.52823900 1.0 O O63 1 0.90761200 0.15088300 0.27254900 1.0 O O64 1 0.10832300 0.75009300 0.07210600 1.0 O O65 1 0.44957800 0.92133900 0.15714300 1.0 O O66 1 0.00058700 0.42820000 0.14260700 1.0 O O67 1 0.34194300 0.59878800 0.22791400 1.0 O O68 1 0.08554400 0.25624800 0.05696500 1.0