# generated using pymatgen data_LiTi4O8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.80080200 _cell_length_b 7.25030972 _cell_length_c 10.18749306 _cell_angle_alpha 78.71159913 _cell_angle_beta 88.52677694 _cell_angle_gamma 85.84285564 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiTi4O8 _chemical_formula_sum 'Li3 Ti12 O24' _cell_volume 419.03818399 _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 0.99356000 0.42718800 0.93085300 1.0 Li Li1 1 0.25125100 0.57274700 0.31561000 1.0 Li Li2 1 0.50920300 0.57233800 0.57318900 1.0 Ti Ti3 1 0.74937300 0.00267900 0.75147300 1.0 Ti Ti4 1 0.00126600 0.98935700 0.00352100 1.0 Ti Ti5 1 0.25371900 0.01111700 0.24657200 1.0 Ti Ti6 1 0.49691200 0.00624500 0.49640800 1.0 Ti Ti7 1 0.73251000 0.31100200 0.20804900 1.0 Ti Ti8 1 0.97225500 0.30635500 0.45992300 1.0 Ti Ti9 1 0.22523300 0.30508000 0.70416400 1.0 Ti Ti10 1 0.48150200 0.30940100 0.95143100 1.0 Ti Ti11 1 0.51779200 0.68889500 0.04124700 1.0 Ti Ti12 1 0.77365600 0.69600500 0.29129300 1.0 Ti Ti13 1 0.01231000 0.69068300 0.55228400 1.0 Ti Ti14 1 0.27836400 0.69598700 0.79429200 1.0 O O15 1 0.97401900 0.13842100 0.15069600 1.0 O O16 1 0.47209200 0.13367000 0.65376900 1.0 O O17 1 0.22107700 0.13633800 0.40391400 1.0 O O18 1 0.72722600 0.13707700 0.90255500 1.0 O O19 1 0.71020100 0.19024800 0.39727100 1.0 O O20 1 0.96019300 0.18822100 0.64802100 1.0 O O21 1 0.46625800 0.19077400 0.14653600 1.0 O O22 1 0.20214800 0.20061300 0.89965600 1.0 O O23 1 0.71406500 0.45739600 0.01812600 1.0 O O24 1 0.97051400 0.45884000 0.27053600 1.0 O O25 1 0.46781800 0.45910700 0.76354000 1.0 O O26 1 0.22526500 0.46106000 0.51550400 1.0 O O27 1 0.53626800 0.54337200 0.23211100 1.0 O O28 1 0.78505100 0.54270100 0.48354400 1.0 O O29 1 0.03121800 0.54092500 0.73487200 1.0 O O30 1 0.27828300 0.54146600 0.97873800 1.0 O O31 1 0.78521000 0.80979400 0.10188600 1.0 O O32 1 0.04605100 0.79909800 0.35200400 1.0 O O33 1 0.29661700 0.79969700 0.59981400 1.0 O O34 1 0.54009600 0.81109900 0.85330100 1.0 O O35 1 0.77260400 0.86439700 0.59654800 1.0 O O36 1 0.52391500 0.85925000 0.34974600 1.0 O O37 1 0.27635700 0.86098100 0.09972200 1.0 O O38 1 0.02637100 0.86598100 0.84540300 1.0