# generated using pymatgen data_Li4Ti5VO12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.89447600 _cell_length_b 8.91468281 _cell_length_c 10.43407011 _cell_angle_alpha 88.86012936 _cell_angle_beta 88.38732862 _cell_angle_gamma 60.31597994 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li4Ti5VO12 _chemical_formula_sum 'Li12 Ti15 V3 O36' _cell_volume 718.45967020 _cell_formula_units_Z 3 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 0.72483900 0.05153700 0.23123400 1.0 Li Li1 1 0.78364300 0.08925700 0.72685100 1.0 Li Li2 1 0.70936600 0.39648000 0.22934600 1.0 Li Li3 1 0.21635700 0.91074300 0.27314900 1.0 Li Li4 1 0.75332000 0.44576800 0.72359100 1.0 Li Li5 1 0.27516100 0.94846300 0.76876600 1.0 Li Li6 1 0.61485800 0.78760300 0.25326400 1.0 Li Li7 1 0.05931000 0.36823100 0.23489000 1.0 Li Li8 1 0.94069000 0.63176900 0.76511000 1.0 Li Li9 1 0.38514200 0.21239700 0.74673600 1.0 Li Li10 1 0.24668000 0.55423200 0.27640900 1.0 Li Li11 1 0.29063400 0.60352000 0.77065400 1.0 Ti Ti12 1 0.83799600 0.83274100 0.00070000 1.0 Ti Ti13 1 0.33857800 0.66957200 0.50694800 1.0 Ti Ti14 1 0.66142200 0.33042800 0.49305200 1.0 Ti Ti15 1 0.15787000 0.83382500 0.99995300 1.0 Ti Ti16 1 0.84213000 0.16617500 0.00004700 1.0 Ti Ti17 1 0.33689800 0.00565700 0.49294600 1.0 Ti Ti18 1 0.00080200 0.32860800 0.50858500 1.0 Ti Ti19 1 0.50354100 0.83506500 0.99179700 1.0 Ti Ti20 1 0.16200400 0.16725900 0.99930000 1.0 Ti Ti21 1 0.83413000 0.50334200 0.00038700 1.0 Ti Ti22 1 0.66310200 0.99434300 0.50705400 1.0 Ti Ti23 1 0.99919800 0.67139200 0.49141500 1.0 Ti Ti24 1 0.49645900 0.16493500 0.00820300 1.0 Ti Ti25 1 0.16587000 0.49665800 0.99961300 1.0 Ti Ti26 1 0.50000000 0.50000000 0.00000000 1.0 V V27 1 0.00000000 0.00000000 0.50000000 1.0 V V28 1 0.33559800 0.33357500 0.49810200 1.0 V V29 1 0.66440200 0.66642500 0.50189800 1.0 O O30 1 0.73129500 0.71850200 0.89381800 1.0 O O31 1 0.78285300 0.78590500 0.39577700 1.0 O O32 1 0.06361800 0.71359100 0.88871300 1.0 O O33 1 0.72348000 0.05914300 0.90267800 1.0 O O34 1 0.87985300 0.87978800 0.60393600 1.0 O O35 1 0.93704500 0.95079000 0.10715000 1.0 O O36 1 0.12647300 0.76443300 0.39238400 1.0 O O37 1 0.76371000 0.11947700 0.39773400 1.0 O O38 1 0.23629000 0.88052300 0.60226600 1.0 O O39 1 0.87352700 0.23556700 0.60761600 1.0 O O40 1 0.38600100 0.72272500 0.89222200 1.0 O O41 1 0.72451200 0.39138600 0.89874300 1.0 O O42 1 0.06295500 0.04921000 0.89285000 1.0 O O43 1 0.12014700 0.12021200 0.39606400 1.0 O O44 1 0.27652000 0.94085700 0.09732200 1.0 O O45 1 0.93638200 0.28640900 0.11128700 1.0 O O46 1 0.43380500 0.78951300 0.39027500 1.0 O O47 1 0.78791400 0.42945400 0.39803500 1.0 O O48 1 0.54023000 0.90406000 0.60350000 1.0 O O49 1 0.89751200 0.54592300 0.60549900 1.0 O O50 1 0.38796800 0.05957500 0.89093700 1.0 O O51 1 0.05471100 0.39529100 0.89499100 1.0 O O52 1 0.21714700 0.21409500 0.60422300 1.0 O O53 1 0.26870500 0.28149800 0.10618200 1.0 O O54 1 0.61203200 0.94042500 0.10906300 1.0 O O55 1 0.94528900 0.60470900 0.10500900 1.0 O O56 1 0.45977000 0.09594000 0.39650000 1.0 O O57 1 0.10248800 0.45407700 0.39450100 1.0 O O58 1 0.56619500 0.21048700 0.60972500 1.0 O O59 1 0.21208600 0.57054600 0.60196500 1.0 O O60 1 0.38945900 0.38987600 0.89442800 1.0 O O61 1 0.45300700 0.45541000 0.39401200 1.0 O O62 1 0.61399900 0.27727500 0.10777800 1.0 O O63 1 0.27548800 0.60861400 0.10125700 1.0 O O64 1 0.54699300 0.54459000 0.60598800 1.0 O O65 1 0.61054100 0.61012400 0.10557200 1.0