# generated using pymatgen data_Li3Ti8O16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.97467900 _cell_length_b 5.97467900 _cell_length_c 8.44883100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li3Ti8O16 _chemical_formula_sum 'Li3 Ti8 O16' _cell_volume 301.59613880 _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 0.00000000 0.00000000 0.00000000 1.0 Li Li1 1 0.50000000 0.00000000 0.74839200 1.0 Li Li2 1 0.00000000 0.50000000 0.25160800 1.0 Ti Ti3 1 0.74852000 0.50000000 0.87088100 1.0 Ti Ti4 1 0.25409900 0.00000000 0.37730700 1.0 Ti Ti5 1 0.25148000 0.50000000 0.87088100 1.0 Ti Ti6 1 0.74590100 0.00000000 0.37730700 1.0 Ti Ti7 1 0.50000000 0.25148000 0.12911900 1.0 Ti Ti8 1 0.00000000 0.74590100 0.62269300 1.0 Ti Ti9 1 0.50000000 0.74852000 0.12911900 1.0 Ti Ti10 1 0.00000000 0.25409900 0.62269300 1.0 O O11 1 0.72541400 0.00000000 0.13730400 1.0 O O12 1 0.21987200 0.50000000 0.64037800 1.0 O O13 1 0.27458600 0.00000000 0.13730400 1.0 O O14 1 0.78012800 0.50000000 0.64037800 1.0 O O15 1 0.50000000 0.78012800 0.35962200 1.0 O O16 1 0.00000000 0.27458600 0.86269600 1.0 O O17 1 0.50000000 0.21987200 0.35962200 1.0 O O18 1 0.00000000 0.72541400 0.86269600 1.0 O O19 1 0.27466900 0.50000000 0.11142700 1.0 O O20 1 0.77628600 0.00000000 0.61294600 1.0 O O21 1 0.72533100 0.50000000 0.11142700 1.0 O O22 1 0.22371400 0.00000000 0.61294600 1.0 O O23 1 0.50000000 0.72533100 0.88857300 1.0 O O24 1 0.00000000 0.22371400 0.38705400 1.0 O O25 1 0.50000000 0.27466900 0.88857300 1.0 O O26 1 0.00000000 0.77628600 0.38705400 1.0