# generated using pymatgen data_LiTiO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.86759857 _cell_length_b 5.86759773 _cell_length_c 5.86759867 _cell_angle_alpha 60.00000026 _cell_angle_beta 60.00000503 _cell_angle_gamma 60.00000487 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiTiO2 _chemical_formula_sum 'Li4 Ti4 O8' _cell_volume 142.84536818 _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 0.50000000 0.50000000 0.00000000 1.0 Li Li1 1 0.50000000 -0.00000000 0.50000000 1.0 Li Li2 1 -0.00000000 0.50000000 0.50000000 1.0 Li Li3 1 0.50000000 0.50000000 0.50000000 1.0 Ti Ti4 1 -0.00000000 0.50000000 0.00000000 1.0 Ti Ti5 1 0.50000000 -0.00000000 0.00000000 1.0 Ti Ti6 1 -0.00000000 -0.00000000 0.50000000 1.0 Ti Ti7 1 -0.00000000 -0.00000000 0.00000000 1.0 O O8 1 0.76136477 0.24621174 0.24621174 1.0 O O9 1 0.75378826 0.75378826 0.75378826 1.0 O O10 1 0.24621174 0.76136477 0.24621174 1.0 O O11 1 0.24621174 0.24621174 0.76136477 1.0 O O12 1 0.24621174 0.24621174 0.24621174 1.0 O O13 1 0.75378826 0.75378826 0.23863523 1.0 O O14 1 0.23863523 0.75378826 0.75378826 1.0 O O15 1 0.75378826 0.23863523 0.75378826 1.0