# generated using pymatgen data_LiTi2O4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.93802345 _cell_length_b 5.93802345 _cell_length_c 9.63637900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999390 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiTi2O4 _chemical_formula_sum 'Li4 Ti8 O16' _cell_volume 294.25804683 _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 0.33333300 0.66666700 0.89373500 1.0 Li Li1 1 0.00000000 0.00000000 0.99504800 1.0 Li Li2 1 0.00000000 0.00000000 0.49504800 1.0 Li Li3 1 0.66666700 0.33333300 0.39373500 1.0 Ti Ti4 1 0.17088400 0.82911600 0.21546500 1.0 Ti Ti5 1 0.65823300 0.82911600 0.21546500 1.0 Ti Ti6 1 0.34176700 0.17088400 0.71546500 1.0 Ti Ti7 1 0.82911600 0.17088400 0.71546500 1.0 Ti Ti8 1 0.33333300 0.66666700 0.48888100 1.0 Ti Ti9 1 0.17088400 0.34176700 0.21546500 1.0 Ti Ti10 1 0.66666700 0.33333300 0.98888100 1.0 Ti Ti11 1 0.82911600 0.65823300 0.71546500 1.0 O O12 1 0.16632400 0.83367600 0.59834100 1.0 O O13 1 0.03984400 0.51992200 0.34075300 1.0 O O14 1 0.33333300 0.66666700 0.10289700 1.0 O O15 1 0.00000000 0.00000000 0.30992100 1.0 O O16 1 0.00000000 0.00000000 0.80992100 1.0 O O17 1 0.16632400 0.33264800 0.59834100 1.0 O O18 1 0.48007800 0.96015600 0.34075300 1.0 O O19 1 0.48007800 0.51992200 0.34075300 1.0 O O20 1 0.33264800 0.16632400 0.09834100 1.0 O O21 1 0.66735200 0.83367600 0.59834100 1.0 O O22 1 0.51992200 0.48007800 0.84075300 1.0 O O23 1 0.51992200 0.03984400 0.84075300 1.0 O O24 1 0.66666700 0.33333300 0.60289700 1.0 O O25 1 0.83367600 0.66735200 0.09834100 1.0 O O26 1 0.96015600 0.48007800 0.84075300 1.0 O O27 1 0.83367600 0.16632400 0.09834100 1.0