# generated using pymatgen data_Li13Ti22O48 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 15.79654104 _cell_length_b 15.79654104 _cell_length_c 10.34205804 _cell_angle_alpha 70.92928161 _cell_angle_beta 70.92928161 _cell_angle_gamma 21.80031083 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li13Ti22O48 _chemical_formula_sum 'Li13 Ti22 O48' _cell_volume 903.77789322 _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 0.50007800 0.50007800 0.49779100 1.0 Li Li1 1 0.45945700 0.45945700 0.20909800 1.0 Li Li2 1 0.83416100 0.83416100 0.83020500 1.0 Li Li3 1 0.79105800 0.79105800 0.54453500 1.0 Li Li4 1 0.95872900 0.95872900 0.70946100 1.0 Li Li5 1 0.16629800 0.16629800 0.16479100 1.0 Li Li6 1 0.33409400 0.33409400 0.33353600 1.0 Li Li7 1 0.12397600 0.12397600 0.87710200 1.0 Li Li8 1 0.29127200 0.29127200 0.04105800 1.0 Li Li9 1 0.31251300 0.31251300 0.68739100 1.0 Li Li10 1 0.62409500 0.62409500 0.37824300 1.0 Li Li11 1 0.66646800 0.66646800 0.66609200 1.0 Li Li12 1 0.06270400 0.06270400 0.43788600 1.0 Ti Ti13 1 0.14818300 0.63885500 0.52476200 1.0 Ti Ti14 1 0.89812000 0.89812000 0.26697900 1.0 Ti Ti15 1 0.98097000 0.98097000 0.35971900 1.0 Ti Ti16 1 0.64867800 0.14434000 0.01966900 1.0 Ti Ti17 1 0.47671200 0.98651600 0.84958900 1.0 Ti Ti18 1 0.63885500 0.14818300 0.52476200 1.0 Ti Ti19 1 0.39362100 0.39362100 0.77148600 1.0 Ti Ti20 1 0.23105600 0.23105600 0.60423300 1.0 Ti Ti21 1 0.47974000 0.47974000 0.85790000 1.0 Ti Ti22 1 0.97811700 0.47973000 0.35616300 1.0 Ti Ti23 1 0.81927400 0.30525400 0.19348500 1.0 Ti Ti24 1 0.14434000 0.64867800 0.01966900 1.0 Ti Ti25 1 0.98651600 0.47671200 0.84958900 1.0 Ti Ti26 1 0.72795600 0.72795600 0.10618600 1.0 Ti Ti27 1 0.56167600 0.56167600 0.93659600 1.0 Ti Ti28 1 0.64579700 0.64579700 0.01736900 1.0 Ti Ti29 1 0.81269400 0.81269400 0.18698500 1.0 Ti Ti30 1 0.30722000 0.81678700 0.68317900 1.0 Ti Ti31 1 0.47973000 0.97811700 0.35616300 1.0 Ti Ti32 1 0.30525400 0.81927400 0.19348500 1.0 Ti Ti33 1 0.14365300 0.14365300 0.51658000 1.0 Ti Ti34 1 0.81678700 0.30722000 0.68317900 1.0 O O35 1 0.15640100 0.71389100 0.32314900 1.0 O O36 1 0.86020700 0.86020700 0.47572600 1.0 O O37 1 0.93616500 0.93616500 0.54551400 1.0 O O38 1 0.71389100 0.15640100 0.32314900 1.0 O O39 1 0.65732300 0.21367300 0.82365400 1.0 O O40 1 0.59302600 0.12733600 0.71647100 1.0 O O41 1 0.49773000 0.03227800 0.65824800 1.0 O O42 1 0.19368200 0.19368200 0.80691400 1.0 O O43 1 0.36030500 0.36030500 0.48419300 1.0 O O44 1 0.36017200 0.36017200 0.97167600 1.0 O O45 1 0.43531800 0.43531800 0.04842500 1.0 O O46 1 0.43119900 0.43119900 0.56782600 1.0 O O47 1 0.26489200 0.26489200 0.89063600 1.0 O O48 1 0.21367300 0.65732300 0.82365400 1.0 O O49 1 0.03227800 0.49773000 0.65824800 1.0 O O50 1 0.12733600 0.59302600 0.71647100 1.0 O O51 1 0.82524800 0.37948900 0.98977900 1.0 O O52 1 0.91209700 0.46689500 0.05173100 1.0 O O53 1 0.07992400 0.63257200 0.21911100 1.0 O O54 1 0.99252000 0.54463900 0.15683800 1.0 O O55 1 0.85619800 0.85619800 0.99329100 1.0 O O56 1 0.69368300 0.69368300 0.30698600 1.0 O O57 1 0.52828000 0.52828000 0.13618100 1.0 O O58 1 0.92970700 0.92970700 0.06965200 1.0 O O59 1 0.68917500 0.68917500 0.83002600 1.0 O O60 1 0.76483100 0.76483100 0.90062300 1.0 O O61 1 0.60218300 0.60218300 0.21494900 1.0 O O62 1 0.76862900 0.76862900 0.38142900 1.0 O O63 1 0.37948900 0.82524800 0.98977900 1.0 O O64 1 0.54463900 0.99252000 0.15683800 1.0 O O65 1 0.46689500 0.91209700 0.05173100 1.0 O O66 1 0.63257200 0.07992400 0.21911100 1.0 O O67 1 0.25490200 0.78654800 0.37847900 1.0 O O68 1 0.33686100 0.87186900 0.49702300 1.0 O O69 1 0.41163200 0.96861700 0.55068400 1.0 O O70 1 0.02378600 0.02378600 0.16476400 1.0 O O71 1 0.02692000 0.02692000 0.65146400 1.0 O O72 1 0.26508800 0.26508800 0.40263200 1.0 O O73 1 0.09876900 0.09876900 0.22244500 1.0 O O74 1 0.18934000 0.18934000 0.32676000 1.0 O O75 1 0.10225200 0.10225200 0.71448500 1.0 O O76 1 0.87186900 0.33686100 0.49702300 1.0 O O77 1 0.78654800 0.25490200 0.37847900 1.0 O O78 1 0.96861700 0.41163200 0.55068400 1.0 O O79 1 0.74139300 0.30640600 0.88171500 1.0 O O80 1 0.52342400 0.52342400 0.65765100 1.0 O O81 1 0.59782700 0.59782700 0.73726900 1.0 O O82 1 0.30640600 0.74139300 0.88171500 1.0