# generated using pymatgen data_Li2Ti3NbO8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.55851700 _cell_length_b 8.55851700 _cell_length_c 8.55851700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2Ti3NbO8 _chemical_formula_sum 'Li8 Ti12 Nb4 O32' _cell_volume 626.89607823 _cell_formula_units_Z 4 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 0.49704800 0.49704800 0.49704800 1.0 Li Li1 1 0.75295200 0.75295200 0.75295200 1.0 Li Li2 1 0.74704800 0.24704800 0.25295200 1.0 Li Li3 1 0.00295200 0.50295200 0.99704800 1.0 Li Li4 1 0.99704800 0.00295200 0.50295200 1.0 Li Li5 1 0.25295200 0.74704800 0.24704800 1.0 Li Li6 1 0.24704800 0.25295200 0.74704800 1.0 Li Li7 1 0.50295200 0.99704800 0.00295200 1.0 Ti Ti8 1 0.62346700 0.62653300 0.12500000 1.0 Ti Ti9 1 0.62500000 0.87653300 0.37346700 1.0 Ti Ti10 1 0.62653300 0.12500000 0.62346700 1.0 Ti Ti11 1 0.87346700 0.87500000 0.12346700 1.0 Ti Ti12 1 0.87500000 0.12346700 0.87346700 1.0 Ti Ti13 1 0.87653300 0.37346700 0.62500000 1.0 Ti Ti14 1 0.12346700 0.87346700 0.87500000 1.0 Ti Ti15 1 0.12500000 0.62346700 0.62653300 1.0 Ti Ti16 1 0.12653300 0.37500000 0.37653300 1.0 Ti Ti17 1 0.37346700 0.62500000 0.87653300 1.0 Ti Ti18 1 0.37500000 0.37653300 0.12653300 1.0 Ti Ti19 1 0.37653300 0.12653300 0.37500000 1.0 Nb Nb20 1 0.62500000 0.37500000 0.87500000 1.0 Nb Nb21 1 0.87500000 0.62500000 0.37500000 1.0 Nb Nb22 1 0.12500000 0.12500000 0.12500000 1.0 Nb Nb23 1 0.37500000 0.87500000 0.62500000 1.0 O O24 1 0.60933100 0.61938700 0.88795700 1.0 O O25 1 0.61204300 0.39066900 0.11938700 1.0 O O26 1 0.61195900 0.11195900 0.38804100 1.0 O O27 1 0.63061300 0.64066900 0.36204300 1.0 O O28 1 0.61938700 0.88795700 0.60933100 1.0 O O29 1 0.63804100 0.86195900 0.13804100 1.0 O O30 1 0.63795700 0.13061300 0.85933100 1.0 O O31 1 0.64066900 0.36204300 0.63061300 1.0 O O32 1 0.85933100 0.63795700 0.13061300 1.0 O O33 1 0.86204300 0.86938700 0.35933100 1.0 O O34 1 0.86195900 0.13804100 0.63804100 1.0 O O35 1 0.88061300 0.11204300 0.10933100 1.0 O O36 1 0.86938700 0.35933100 0.86204300 1.0 O O37 1 0.88804100 0.88804100 0.88804100 1.0 O O38 1 0.88795700 0.60933100 0.61938700 1.0 O O39 1 0.89066900 0.38061300 0.38795700 1.0 O O40 1 0.10933100 0.88061300 0.11204300 1.0 O O41 1 0.11204300 0.10933100 0.88061300 1.0 O O42 1 0.11195900 0.38804100 0.61195900 1.0 O O43 1 0.13061300 0.85933100 0.63795700 1.0 O O44 1 0.11938700 0.61204300 0.39066900 1.0 O O45 1 0.13804100 0.63804100 0.86195900 1.0 O O46 1 0.13795700 0.36938700 0.14066900 1.0 O O47 1 0.14066900 0.13795700 0.36938700 1.0 O O48 1 0.35933100 0.86204300 0.86938700 1.0 O O49 1 0.36204300 0.63061300 0.64066900 1.0 O O50 1 0.36195900 0.36195900 0.36195900 1.0 O O51 1 0.38061300 0.38795700 0.89066900 1.0 O O52 1 0.36938700 0.14066900 0.13795700 1.0 O O53 1 0.38804100 0.61195900 0.11195900 1.0 O O54 1 0.38795700 0.89066900 0.38061300 1.0 O O55 1 0.39066900 0.11938700 0.61204300 1.0