# generated using pymatgen data_LiTiSiO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.98098000 _cell_length_b 6.10274900 _cell_length_c 9.36038700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiTiSiO4 _chemical_formula_sum 'Li4 Ti4 Si4 O16' _cell_volume 284.53396178 _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 0.48025000 0.75000000 0.16962600 1.0 Li Li1 1 0.98025000 0.25000000 0.33037400 1.0 Li Li2 1 0.01975000 0.75000000 0.66962600 1.0 Li Li3 1 0.51975000 0.25000000 0.83037400 1.0 Ti Ti4 1 0.00000000 0.00000000 0.00000000 1.0 Ti Ti5 1 0.00000000 0.50000000 0.00000000 1.0 Ti Ti6 1 0.50000000 0.00000000 0.50000000 1.0 Ti Ti7 1 0.50000000 0.50000000 0.50000000 1.0 Si Si8 1 0.47543100 0.25000000 0.17756200 1.0 Si Si9 1 0.97543100 0.75000000 0.32243800 1.0 Si Si10 1 0.02456900 0.25000000 0.67756200 1.0 Si Si11 1 0.52456900 0.75000000 0.82243800 1.0 O O12 1 0.79842700 0.25000000 0.12907600 1.0 O O13 1 0.32792200 0.03149500 0.11553500 1.0 O O14 1 0.32792200 0.46850500 0.11553500 1.0 O O15 1 0.90132600 0.75000000 0.14717500 1.0 O O16 1 0.40132600 0.25000000 0.35282500 1.0 O O17 1 0.82792200 0.96850500 0.38446500 1.0 O O18 1 0.82792200 0.53149500 0.38446500 1.0 O O19 1 0.29842700 0.75000000 0.37092400 1.0 O O20 1 0.70157300 0.25000000 0.62907600 1.0 O O21 1 0.17207800 0.03149500 0.61553500 1.0 O O22 1 0.17207800 0.46850500 0.61553500 1.0 O O23 1 0.59867400 0.75000000 0.64717500 1.0 O O24 1 0.09867400 0.25000000 0.85282500 1.0 O O25 1 0.67207800 0.53149500 0.88446500 1.0 O O26 1 0.67207800 0.96850500 0.88446500 1.0 O O27 1 0.20157300 0.75000000 0.87092400 1.0