# generated using pymatgen data_Li5Ti12O24 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.88726900 _cell_length_b 5.08802500 _cell_length_c 9.73782291 _cell_angle_alpha 89.89643261 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li5Ti12O24 _chemical_formula_sum 'Li5 Ti12 O24' _cell_volume 440.33045586 _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 0.50000000 0.42838700 0.96772000 1.0 Li Li1 1 0.00000000 0.56792800 0.03733600 1.0 Li Li2 1 0.00000000 0.93895300 0.53411100 1.0 Li Li3 1 0.33356400 0.93379100 0.53342700 1.0 Li Li4 1 0.66643600 0.93379100 0.53342700 1.0 Ti Ti5 1 0.50000000 0.00300400 0.14481100 1.0 Ti Ti6 1 0.82681800 0.02810400 0.13967000 1.0 Ti Ti7 1 0.17318200 0.02810400 0.13967000 1.0 Ti Ti8 1 0.16427500 0.47891700 0.64215700 1.0 Ti Ti9 1 0.50000000 0.46907500 0.64328300 1.0 Ti Ti10 1 0.83572500 0.47891700 0.64215700 1.0 Ti Ti11 1 0.33540300 0.51217000 0.35788500 1.0 Ti Ti12 1 0.00000000 0.52394300 0.35721000 1.0 Ti Ti13 1 0.66459700 0.51217000 0.35788500 1.0 Ti Ti14 1 0.00000000 0.99756800 0.85974200 1.0 Ti Ti15 1 0.67360100 0.96879900 0.86532000 1.0 Ti Ti16 1 0.32639900 0.96879900 0.86532000 1.0 O O17 1 0.17265400 0.19556500 0.77506100 1.0 O O18 1 0.50000000 0.20820900 0.78718600 1.0 O O19 1 0.82734600 0.19556500 0.77506100 1.0 O O20 1 0.33673000 0.19550200 0.03551500 1.0 O O21 1 0.66327000 0.19550200 0.03551500 1.0 O O22 1 0.00000000 0.20024200 0.03563300 1.0 O O23 1 0.33365900 0.30229700 0.53438100 1.0 O O24 1 0.66634100 0.30229700 0.53438100 1.0 O O25 1 0.00000000 0.30525400 0.53457900 1.0 O O26 1 0.16343600 0.30661300 0.27693900 1.0 O O27 1 0.83656400 0.30661300 0.27693900 1.0 O O28 1 0.50000000 0.30257200 0.27454300 1.0 O O29 1 0.00000000 0.71448900 0.71533200 1.0 O O30 1 0.33634100 0.70997800 0.71377000 1.0 O O31 1 0.66365900 0.70997800 0.71377000 1.0 O O32 1 0.50000000 0.70629700 0.46519800 1.0 O O33 1 0.83392700 0.70921900 0.46627600 1.0 O O34 1 0.16607300 0.70921900 0.46627600 1.0 O O35 1 0.83720500 0.79869100 0.96504300 1.0 O O36 1 0.50000000 0.79571000 0.96375500 1.0 O O37 1 0.16279500 0.79869100 0.96504300 1.0 O O38 1 0.00000000 0.79508000 0.21431300 1.0 O O39 1 0.32875600 0.80474900 0.22622500 1.0 O O40 1 0.67124400 0.80474900 0.22622500 1.0