# generated using pymatgen data_LiTiO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.76340900 _cell_length_b 8.74184301 _cell_length_c 10.48770673 _cell_angle_alpha 114.55122290 _cell_angle_beta 90.00676883 _cell_angle_gamma 101.25832686 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiTiO2 _chemical_formula_sum 'Li16 Ti16 O32' _cell_volume 632.31696168 _cell_formula_units_Z 16 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 0.90686100 0.75130600 0.25746600 1.0 Li Li1 1 0.76628800 0.64425600 0.75589200 1.0 Li Li2 1 0.35342200 0.23049600 0.99215000 1.0 Li Li3 1 0.50873400 0.63626500 0.51115500 1.0 Li Li4 1 0.75166700 0.33693000 0.74396700 1.0 Li Li5 1 0.84743500 0.21962100 0.49913700 1.0 Li Li6 1 0.41329200 0.74958700 0.76122700 1.0 Li Li7 1 0.49880600 0.33491300 0.49951700 1.0 Li Li8 1 0.59691400 0.23950200 0.23750400 1.0 Li Li9 1 0.16323300 0.74052600 0.51900800 1.0 Li Li10 1 0.25137700 0.33675700 0.24856300 1.0 Li Li11 1 0.24330500 0.98935300 0.24566100 1.0 Li Li12 1 0.66138100 0.74382600 0.01410800 1.0 Li Li13 1 0.09427900 0.23196600 0.74172600 1.0 Li Li14 1 0.26282600 0.63861500 0.25706300 1.0 Li Li15 1 0.00891100 0.62913000 0.01249700 1.0 Ti Ti16 1 0.68866700 0.11265400 0.99429500 1.0 Ti Ti17 1 0.82952500 0.53998900 0.50475200 1.0 Ti Ti18 1 0.69000100 0.46026000 0.98694200 1.0 Ti Ti19 1 0.82709900 0.87827500 0.49881900 1.0 Ti Ti20 1 0.43784700 0.45399400 0.74298000 1.0 Ti Ti21 1 0.92205200 0.08656800 0.25917100 1.0 Ti Ti22 1 0.58400700 0.86861900 0.26104200 1.0 Ti Ti23 1 0.08145900 0.51451600 0.77148000 1.0 Ti Ti24 1 0.93354700 0.45002500 0.24499400 1.0 Ti Ti25 1 0.43355100 0.10378300 0.74986400 1.0 Ti Ti26 1 0.08220600 0.86640900 0.76168200 1.0 Ti Ti27 1 0.58176900 0.52048600 0.26529400 1.0 Ti Ti28 1 0.18205400 0.10354000 0.49939000 1.0 Ti Ti29 1 0.31707100 0.52516600 0.00971700 1.0 Ti Ti30 1 0.17307500 0.43962300 0.49758200 1.0 Ti Ti31 1 0.32550300 0.87386300 0.00308300 1.0 O O32 1 0.87771000 0.31361400 0.87610500 1.0 O O33 1 0.95863000 0.53567200 0.63265300 1.0 O O34 1 0.55667700 0.45363800 0.86811400 1.0 O O35 1 0.96149900 0.87721800 0.62747100 1.0 O O36 1 0.87386600 0.67095600 0.87233800 1.0 O O37 1 0.22794300 0.22048700 0.87266600 1.0 O O38 1 0.30175300 0.44264000 0.62219200 1.0 O O39 1 0.69061900 0.88711400 0.37629200 1.0 O O40 1 0.62817200 0.66014900 0.62537900 1.0 O O41 1 0.97452400 0.21673500 0.62318400 1.0 O O42 1 0.52928500 0.74784300 0.88889200 1.0 O O43 1 0.79214800 0.09213500 0.13066500 1.0 O O44 1 0.46278000 0.88028900 0.12616200 1.0 O O45 1 0.37188200 0.67162700 0.36965200 1.0 O O46 1 0.21042900 0.52982600 0.88327900 1.0 O O47 1 0.72488700 0.22070800 0.37272000 1.0 O O48 1 0.28371700 0.75068400 0.63679600 1.0 O O49 1 0.80314200 0.44288000 0.12179600 1.0 O O50 1 0.62806000 0.31792600 0.62879200 1.0 O O51 1 0.55629500 0.09196200 0.88006600 1.0 O O52 1 0.20215800 0.88163900 0.87822900 1.0 O O53 1 0.46749900 0.21652300 0.12229300 1.0 O O54 1 0.04591500 0.76453900 0.37662400 1.0 O O55 1 0.38166600 0.31539000 0.38158300 1.0 O O56 1 0.30500700 0.09195200 0.62965200 1.0 O O57 1 0.70765000 0.52648700 0.38548600 1.0 O O58 1 0.78479800 0.75429500 0.13483300 1.0 O O59 1 0.14101000 0.30274000 0.14019100 1.0 O O60 1 0.05766600 0.09093600 0.38064100 1.0 O O61 1 0.45745700 0.53299400 0.13541700 1.0 O O62 1 0.05072100 0.44759500 0.37060500 1.0 O O63 1 0.12925700 0.66042100 0.12584000 1.0