# generated using pymatgen data_LaTi6O12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.27150016 _cell_length_b 8.27150016 _cell_length_c 9.78885357 _cell_angle_alpha 55.12889932 _cell_angle_beta 55.12889932 _cell_angle_gamma 65.81578216 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaTi6O12 _chemical_formula_sum 'La2 Ti12 O24' _cell_volume 447.38775411 _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 0.23135100 0.76864900 0.00000000 1.0 La La1 1 0.76864900 0.23135100 0.00000000 1.0 Ti Ti2 1 0.98023800 0.30962200 0.52875600 1.0 Ti Ti3 1 0.82917700 0.82917700 0.82136100 1.0 Ti Ti4 1 0.17082300 0.17082300 0.17863900 1.0 Ti Ti5 1 0.50232900 0.83208900 0.18501500 1.0 Ti Ti6 1 0.01976200 0.69037800 0.47124400 1.0 Ti Ti7 1 0.35473800 0.35473800 0.46578800 1.0 Ti Ti8 1 0.30962200 0.98023800 0.52875600 1.0 Ti Ti9 1 0.64526200 0.64526200 0.53421200 1.0 Ti Ti10 1 0.49767100 0.16791100 0.81498500 1.0 Ti Ti11 1 0.16791100 0.49767100 0.81498500 1.0 Ti Ti12 1 0.83208900 0.50232900 0.18501500 1.0 Ti Ti13 1 0.69037800 0.01976200 0.47124400 1.0 O O14 1 0.15306200 0.15306200 0.66287500 1.0 O O15 1 0.86188000 0.52185500 0.94861900 1.0 O O16 1 0.14975100 0.14975100 0.39268100 1.0 O O17 1 0.85024900 0.85024900 0.60731900 1.0 O O18 1 0.18230700 0.51494900 0.60557300 1.0 O O19 1 0.13812000 0.47814500 0.05138100 1.0 O O20 1 0.47814500 0.13812000 0.05138100 1.0 O O21 1 0.87952200 0.21309100 0.26989400 1.0 O O22 1 0.21309100 0.87952200 0.26989400 1.0 O O23 1 0.54522200 0.54522200 0.27864700 1.0 O O24 1 0.47891100 0.82097600 0.67028300 1.0 O O25 1 0.82097600 0.47891100 0.67028300 1.0 O O26 1 0.84693800 0.84693800 0.33712500 1.0 O O27 1 0.17902400 0.52108900 0.32971700 1.0 O O28 1 0.78690900 0.12047800 0.73010600 1.0 O O29 1 0.12047800 0.78690900 0.73010600 1.0 O O30 1 0.45477800 0.45477800 0.72135300 1.0 O O31 1 0.52185500 0.86188000 0.94861900 1.0 O O32 1 0.19485300 0.19485300 0.94652700 1.0 O O33 1 0.48505100 0.81769300 0.39442700 1.0 O O34 1 0.81769300 0.48505100 0.39442700 1.0 O O35 1 0.51494900 0.18230700 0.60557300 1.0 O O36 1 0.80514700 0.80514700 0.05347300 1.0 O O37 1 0.52108900 0.17902400 0.32971700 1.0