# generated using pymatgen data_Li7Ti12O24 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.99850700 _cell_length_b 4.01908000 _cell_length_c 26.16326877 _cell_angle_alpha 89.95308289 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li7Ti12O24 _chemical_formula_sum 'Li7 Ti12 O24' _cell_volume 420.45194772 _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 0.74976700 0.95706400 1.0 Li Li1 1 0.00000000 0.75060500 0.87221300 1.0 Li Li2 1 0.50000000 0.24900700 0.70510600 1.0 Li Li3 1 0.00000000 0.75103000 0.54025300 1.0 Li Li4 1 0.50000000 0.74967900 0.28843300 1.0 Li Li5 1 0.50000000 0.24949600 0.37730100 1.0 Li Li6 1 0.00000000 0.24929600 0.11997600 1.0 Ti Ti7 1 0.50000000 0.25062300 0.86907000 1.0 Ti Ti8 1 0.00000000 0.75084700 0.71278400 1.0 Ti Ti9 1 0.00000000 0.24977600 0.96379900 1.0 Ti Ti10 1 0.50000000 0.24913800 0.53825400 1.0 Ti Ti11 1 0.50000000 0.75114700 0.79159300 1.0 Ti Ti12 1 0.00000000 0.74943400 0.38005800 1.0 Ti Ti13 1 0.00000000 0.27731600 0.62436100 1.0 Ti Ti14 1 0.50000000 0.24945100 0.20733100 1.0 Ti Ti15 1 0.50000000 0.74887800 0.45843000 1.0 Ti Ti16 1 0.00000000 0.74943200 0.03985300 1.0 Ti Ti17 1 0.00000000 0.24974300 0.28613200 1.0 Ti Ti18 1 0.50000000 0.74945800 0.12879100 1.0 O O19 1 0.50000000 0.75044300 0.87109300 1.0 O O20 1 0.50000000 0.24984800 0.95072900 1.0 O O21 1 0.00000000 0.24857800 0.70083400 1.0 O O22 1 0.00000000 0.75036800 0.78942900 1.0 O O23 1 0.00000000 0.25042100 0.88173900 1.0 O O24 1 0.00000000 0.74977700 0.96211900 1.0 O O25 1 0.50000000 0.74850500 0.53638400 1.0 O O26 1 0.50000000 0.24754800 0.61739800 1.0 O O27 1 0.50000000 0.74959700 0.71381300 1.0 O O28 1 0.50000000 0.25067600 0.79352800 1.0 O O29 1 0.00000000 0.24954500 0.36748700 1.0 O O30 1 0.00000000 0.74898400 0.45622900 1.0 O O31 1 0.00000000 0.24669400 0.54786800 1.0 O O32 1 0.00000000 0.74023800 0.63329800 1.0 O O33 1 0.50000000 0.74945300 0.20539100 1.0 O O34 1 0.50000000 0.24963000 0.28711800 1.0 O O35 1 0.50000000 0.74961800 0.37892800 1.0 O O36 1 0.50000000 0.24919400 0.46088200 1.0 O O37 1 0.00000000 0.24940500 0.03849700 1.0 O O38 1 0.00000000 0.74932500 0.11789000 1.0 O O39 1 0.00000000 0.24949300 0.21035100 1.0 O O40 1 0.00000000 0.74970700 0.29879000 1.0 O O41 1 0.50000000 0.74943700 0.04784800 1.0 O O42 1 0.50000000 0.24939400 0.12988700 1.0