# generated using pymatgen data_NaTi6O12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.32369700 _cell_length_b 8.96102900 _cell_length_c 9.46598900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaTi6O12 _chemical_formula_sum 'Na2 Ti12 O24' _cell_volume 451.58260837 _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 Na Na0 1 0.54545100 0.50000000 0.71379500 1.0 Na Na1 1 0.04545100 0.00000000 0.28620500 1.0 Ti Ti2 1 0.96755600 0.16905200 0.88981400 1.0 Ti Ti3 1 0.97675600 0.50000000 0.90452600 1.0 Ti Ti4 1 0.96755600 0.83094800 0.88981400 1.0 Ti Ti5 1 0.53100500 0.83042500 0.39557200 1.0 Ti Ti6 1 0.53986000 0.50000000 0.38285200 1.0 Ti Ti7 1 0.53100500 0.16957500 0.39557200 1.0 Ti Ti8 1 0.46755600 0.66905200 0.11018600 1.0 Ti Ti9 1 0.47675600 0.00000000 0.09547400 1.0 Ti Ti10 1 0.46755600 0.33094800 0.11018600 1.0 Ti Ti11 1 0.03986000 0.00000000 0.61714800 1.0 Ti Ti12 1 0.03100500 0.66957500 0.60442800 1.0 Ti Ti13 1 0.03100500 0.33042500 0.60442800 1.0 O O14 1 0.83407800 0.83644000 0.51647900 1.0 O O15 1 0.81891900 0.50000000 0.52346400 1.0 O O16 1 0.83407800 0.16356000 0.51647900 1.0 O O17 1 0.81713800 0.66895500 0.78753800 1.0 O O18 1 0.81713800 0.33104500 0.78753800 1.0 O O19 1 0.82215600 0.00000000 0.78831200 1.0 O O20 1 0.68557900 0.66904900 0.28649200 1.0 O O21 1 0.68557900 0.33095100 0.28649200 1.0 O O22 1 0.65995800 0.00000000 0.28459200 1.0 O O23 1 0.67754500 0.83356200 0.02202500 1.0 O O24 1 0.67754500 0.16643800 0.02202500 1.0 O O25 1 0.67209800 0.50000000 0.01734700 1.0 O O26 1 0.33407800 0.66356000 0.48352100 1.0 O O27 1 0.31891900 0.00000000 0.47653600 1.0 O O28 1 0.33407800 0.33644000 0.48352100 1.0 O O29 1 0.31713800 0.16895500 0.21246200 1.0 O O30 1 0.31713800 0.83104500 0.21246200 1.0 O O31 1 0.32215600 0.50000000 0.21168800 1.0 O O32 1 0.18557900 0.16904900 0.71350800 1.0 O O33 1 0.15995800 0.50000000 0.71540800 1.0 O O34 1 0.18557900 0.83095100 0.71350800 1.0 O O35 1 0.17209800 0.00000000 0.98265300 1.0 O O36 1 0.17754500 0.66643800 0.97797500 1.0 O O37 1 0.17754500 0.33356200 0.97797500 1.0