# generated using pymatgen data_LaTi2O6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.49468496 _cell_length_b 5.49468496 _cell_length_c 5.49468496 _cell_angle_alpha 120.01125719 _cell_angle_beta 120.01125719 _cell_angle_gamma 89.98050308 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaTi2O6 _chemical_formula_sum 'La1 Ti2 O6' _cell_volume 117.28418748 _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 La La0 1 0.00000000 0.00000000 0.00000000 1.0 Ti Ti1 1 0.25000000 0.75000000 0.50000000 1.0 Ti Ti2 1 0.75000000 0.25000000 0.50000000 1.0 O O3 1 0.51873200 0.98750300 0.00000000 1.0 O O4 1 0.48126800 0.48126800 0.46877000 1.0 O O5 1 0.01249700 0.01249700 0.53123000 1.0 O O6 1 0.98750300 0.51873200 0.00000000 1.0 O O7 1 0.50000000 0.00000000 0.50000000 1.0 O O8 1 0.00000000 0.50000000 0.50000000 1.0