# generated using pymatgen data_LaTi6O12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.70737700 _cell_length_b 7.28727755 _cell_length_c 9.76551773 _cell_angle_alpha 88.24048473 _cell_angle_beta 98.44480720 _cell_angle_gamma 116.05963804 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaTi6O12 _chemical_formula_sum 'La2 Ti12 O24' _cell_volume 423.84170594 _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 La La0 1 0.25419100 0.55884000 0.44012800 1.0 La La1 1 0.74580900 0.44116000 0.55987200 1.0 Ti Ti2 1 0.85436000 0.43859900 0.11389200 1.0 Ti Ti3 1 0.27381400 0.10843400 0.32900400 1.0 Ti Ti4 1 0.06940000 0.90637900 0.92226300 1.0 Ti Ti5 1 0.72618600 0.89156600 0.67099600 1.0 Ti Ti6 1 0.43015000 0.92572200 0.15140900 1.0 Ti Ti7 1 0.14564000 0.56140100 0.88610800 1.0 Ti Ti8 1 0.20956900 0.97093100 0.62258400 1.0 Ti Ti9 1 0.37895200 0.40044700 0.75792300 1.0 Ti Ti10 1 0.62104800 0.59955300 0.24207700 1.0 Ti Ti11 1 0.79043100 0.02906900 0.37741600 1.0 Ti Ti12 1 0.56985000 0.07427800 0.84859100 1.0 Ti Ti13 1 0.93060000 0.09362100 0.07773700 1.0 O O14 1 0.43063200 0.56220600 0.90029900 1.0 O O15 1 0.30410200 0.22884000 0.55714200 1.0 O O16 1 0.81682000 0.98847000 0.87232600 1.0 O O17 1 0.92994200 0.63827200 0.98068400 1.0 O O18 1 0.03762400 0.21811000 0.29641600 1.0 O O19 1 0.44142600 0.90077300 0.66743100 1.0 O O20 1 0.66065700 0.15368900 0.05573700 1.0 O O21 1 0.07005800 0.36172800 0.01931600 1.0 O O22 1 0.53681200 0.59823200 0.63973800 1.0 O O23 1 0.26812900 0.12214600 0.81670700 1.0 O O24 1 0.18318000 0.01153000 0.12767400 1.0 O O25 1 0.69589800 0.77116000 0.44285800 1.0 O O26 1 0.84246300 0.12566800 0.56668900 1.0 O O27 1 0.66698200 0.33298000 0.78125300 1.0 O O28 1 0.56936800 0.43779400 0.09970100 1.0 O O29 1 0.11478400 0.46410100 0.70315900 1.0 O O30 1 0.88521600 0.53589900 0.29684100 1.0 O O31 1 0.33301800 0.66702000 0.21874700 1.0 O O32 1 0.15753700 0.87433200 0.43331100 1.0 O O33 1 0.73187100 0.87785400 0.18329300 1.0 O O34 1 0.46318800 0.40176800 0.36026200 1.0 O O35 1 0.33934300 0.84631100 0.94426300 1.0 O O36 1 0.55857400 0.09922700 0.33256900 1.0 O O37 1 0.96237600 0.78189000 0.70358400 1.0