# generated using pymatgen data_LiTiSiO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.06650852 _cell_length_b 5.06650852 _cell_length_c 5.97964700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 112.00465447 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiTiSiO4 _chemical_formula_sum 'Li2 Ti2 Si2 O8' _cell_volume 142.31304345 _cell_formula_units_Z 2 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 0.66292500 0.33707500 0.25000000 1.0 Li Li1 1 0.33707500 0.66292500 0.75000000 1.0 Ti Ti2 1 0.00000000 0.00000000 0.00000000 1.0 Ti Ti3 1 0.00000000 0.00000000 0.50000000 1.0 Si Si4 1 0.65150100 0.34849900 0.75000000 1.0 Si Si5 1 0.34849900 0.65150100 0.25000000 1.0 O O6 1 0.24085100 0.29593600 0.25000000 1.0 O O7 1 0.29593600 0.24085100 0.75000000 1.0 O O8 1 0.76567600 0.23432400 0.53040300 1.0 O O9 1 0.23432400 0.76567600 0.03040300 1.0 O O10 1 0.76567600 0.23432400 0.96959700 1.0 O O11 1 0.23432400 0.76567600 0.46959700 1.0 O O12 1 0.75914900 0.70406400 0.75000000 1.0 O O13 1 0.70406400 0.75914900 0.25000000 1.0