# generated using pymatgen data_NaTi6O12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.95768600 _cell_length_b 5.96498652 _cell_length_c 7.16528178 _cell_angle_alpha 85.28273564 _cell_angle_beta 102.05088691 _cell_angle_gamma 119.92732022 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaTi6O12 _chemical_formula_sum 'Na1 Ti6 O12' _cell_volume 215.74736105 _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 Na Na0 1 0.36351800 0.95422100 0.55731600 1.0 Ti Ti1 1 0.00117700 0.99482700 0.99394400 1.0 Ti Ti2 1 0.41448400 0.48142600 0.69890300 1.0 Ti Ti3 1 0.07126000 0.48332400 0.30172400 1.0 Ti Ti4 1 0.49711600 0.00254700 0.01535400 1.0 Ti Ti5 1 0.91344900 0.47321200 0.69998800 1.0 Ti Ti6 1 0.60250700 0.54652300 0.31060700 1.0 O O7 1 0.04383900 0.31146300 0.54958800 1.0 O O8 1 0.20674000 0.31052100 0.18758000 1.0 O O9 1 0.29609200 0.68761400 0.80927100 1.0 O O10 1 0.44866500 0.68318600 0.44665100 1.0 O O11 1 0.69700100 0.82567200 0.13445000 1.0 O O12 1 0.19126600 0.81510200 0.13594400 1.0 O O13 1 0.30521600 0.17217300 0.85673200 1.0 O O14 1 0.79913200 0.17687400 0.86025300 1.0 O O15 1 0.55879600 0.34293600 0.55069600 1.0 O O16 1 0.69523900 0.30706000 0.19138500 1.0 O O17 1 0.79794000 0.68935900 0.81286200 1.0 O O18 1 0.95586300 0.68096200 0.44595100 1.0