# generated using pymatgen data_LiTiSiO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.80163600 _cell_length_b 5.93272400 _cell_length_c 10.34762800 _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 294.77061412 _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 0.00029200 0.25460500 0.24635300 1.0 Li Li1 1 0.50029200 0.24539500 0.75364700 1.0 Li Li2 1 0.99970800 0.75460500 0.25364700 1.0 Li Li3 1 0.49970800 0.74539500 0.74635300 1.0 Ti Ti4 1 0.99839600 0.99864000 0.97675600 1.0 Ti Ti5 1 0.49839600 0.50136000 0.02324400 1.0 Ti Ti6 1 0.00160400 0.49864000 0.52324400 1.0 Ti Ti7 1 0.50160400 0.00136000 0.47675600 1.0 Si Si8 1 0.55175700 0.00051500 0.15666800 1.0 Si Si9 1 0.05175700 0.49948500 0.84333200 1.0 Si Si10 1 0.44824300 0.50051500 0.34333200 1.0 Si Si11 1 0.94824300 0.99948500 0.65666800 1.0 O O12 1 0.69055000 0.99967200 0.30170700 1.0 O O13 1 0.21579300 0.00112000 0.15341000 1.0 O O14 1 0.79877400 0.21291500 0.57607500 1.0 O O15 1 0.70195900 0.21362800 0.07643100 1.0 O O16 1 0.20195900 0.28637200 0.92356900 1.0 O O17 1 0.30945000 0.49967200 0.19829300 1.0 O O18 1 0.71579300 0.49888000 0.84659000 1.0 O O19 1 0.29877400 0.28708500 0.42392500 1.0 O O20 1 0.20122600 0.71291500 0.92392500 1.0 O O21 1 0.78420700 0.50112000 0.34659000 1.0 O O22 1 0.19055000 0.50032800 0.69829300 1.0 O O23 1 0.29804100 0.71362800 0.42356900 1.0 O O24 1 0.79804100 0.78637200 0.57643100 1.0 O O25 1 0.70122600 0.78708500 0.07607500 1.0 O O26 1 0.28420700 0.99888000 0.65341000 1.0 O O27 1 0.80945000 0.00032800 0.80170700 1.0