# generated using pymatgen data_Li7Ti5O12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.06616503 _cell_length_b 5.06616503 _cell_length_c 9.80202396 _cell_angle_alpha 85.05587315 _cell_angle_beta 85.05587315 _cell_angle_gamma 120.00586041 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li7Ti5O12 _chemical_formula_sum 'Li7 Ti5 O12' _cell_volume 214.59955047 _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 0.75544200 0.75544200 0.25695323 1.0 Li Li1 1 0.59279127 0.91884515 0.74461077 1.0 Li Li2 1 0.24455800 0.24455800 0.74304677 1.0 Li Li3 1 0.08115485 0.40720873 0.25538923 1.0 Li Li4 1 0.40720873 0.08115485 0.25538923 1.0 Li Li5 1 0.91884515 0.59279127 0.74461077 1.0 Li Li6 1 0.00000000 -0.00000000 0.50000000 1.0 Ti Ti7 1 0.66666333 0.33333667 0.50000000 1.0 Ti Ti8 1 0.50000000 0.50000000 -0.00000000 1.0 Ti Ti9 1 0.84240826 0.15759174 -0.00000000 1.0 Ti Ti10 1 0.33333667 0.66666333 0.50000000 1.0 Ti Ti11 1 0.15759174 0.84240826 -0.00000000 1.0 O O12 1 0.60662896 0.60662896 0.61365254 1.0 O O13 1 0.39337104 0.39337104 0.38634746 1.0 O O14 1 0.68235033 0.03761091 0.38653123 1.0 O O15 1 0.46110979 0.79631593 0.11628086 1.0 O O16 1 0.53889021 0.20368407 0.88371914 1.0 O O17 1 0.20368407 0.53889021 0.88371914 1.0 O O18 1 0.31764967 0.96238909 0.61346877 1.0 O O19 1 0.96238909 0.31764967 0.61346877 1.0 O O20 1 0.03761091 0.68235033 0.38653123 1.0 O O21 1 0.79631593 0.46110979 0.11628086 1.0 O O22 1 0.12359430 0.12359430 0.12727097 1.0 O O23 1 0.87640570 0.87640570 0.87272903 1.0