# generated using pymatgen data_NaTi2O4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.94553414 _cell_length_b 9.24441596 _cell_length_c 10.73850363 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaTi2O4 _chemical_formula_sum 'Na4 Ti8 O16' _cell_volume 292.40669206 _cell_formula_units_Z 4 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 0.25000000 0.74339494 0.15369929 1.0 Na Na1 1 0.75000000 0.25660506 0.84630071 1.0 Na Na2 1 0.25000000 0.24339494 0.34630071 1.0 Na Na3 1 0.75000000 0.75660506 0.65369929 1.0 Ti Ti4 1 0.75000000 0.93549536 0.88871250 1.0 Ti Ti5 1 0.25000000 0.06450464 0.11128750 1.0 Ti Ti6 1 0.75000000 0.43549536 0.61128750 1.0 Ti Ti7 1 0.25000000 0.56450464 0.38871250 1.0 Ti Ti8 1 0.25000000 0.58239891 0.89655593 1.0 Ti Ti9 1 0.75000000 0.41760109 0.10344407 1.0 Ti Ti10 1 0.25000000 0.08239891 0.60344407 1.0 Ti Ti11 1 0.75000000 0.91760109 0.39655593 1.0 O O12 1 0.75000000 0.91967401 0.07007967 1.0 O O13 1 0.25000000 0.08032599 0.92992033 1.0 O O14 1 0.75000000 0.41967401 0.42992033 1.0 O O15 1 0.25000000 0.58032599 0.57007967 1.0 O O16 1 0.75000000 0.52140286 0.78108460 1.0 O O17 1 0.25000000 0.47859714 0.21891540 1.0 O O18 1 0.75000000 0.02140286 0.71891540 1.0 O O19 1 0.25000000 0.97859714 0.28108460 1.0 O O20 1 0.75000000 0.61330196 0.02254269 1.0 O O21 1 0.25000000 0.38669804 0.97745731 1.0 O O22 1 0.75000000 0.11330196 0.47745731 1.0 O O23 1 0.25000000 0.88669804 0.52254269 1.0 O O24 1 0.25000000 0.79059702 0.84781070 1.0 O O25 1 0.75000000 0.20940298 0.15218930 1.0 O O26 1 0.25000000 0.29059702 0.65218930 1.0 O O27 1 0.75000000 0.70940298 0.34781070 1.0