# generated using pymatgen data_NaTi2O4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.11211438 _cell_length_b 6.11211011 _cell_length_c 6.11212781 _cell_angle_alpha 59.99994225 _cell_angle_beta 59.99996537 _cell_angle_gamma 59.99986935 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaTi2O4 _chemical_formula_sum 'Na2 Ti4 O8' _cell_volume 161.45791477 _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 0.74999944 0.74999944 0.74999529 1.0 Na Na1 1 0.50000056 0.50000056 0.50000471 1.0 Ti Ti2 1 0.12500000 0.12500000 0.62500000 1.0 Ti Ti3 1 0.12500000 0.62500000 0.12500000 1.0 Ti Ti4 1 0.62500000 0.12500000 0.12500000 1.0 Ti Ti5 1 0.12500000 0.12500000 0.12500000 1.0 O O6 1 0.32031012 0.89323086 0.89322785 1.0 O O7 1 0.89323509 0.89323109 0.89322878 1.0 O O8 1 0.89323286 0.32031112 0.89322685 1.0 O O9 1 0.89323151 0.89322751 0.32031407 1.0 O O10 1 0.35676714 0.92968888 0.35677315 1.0 O O11 1 0.35676849 0.35677249 0.92968593 1.0 O O12 1 0.92968988 0.35676914 0.35677215 1.0 O O13 1 0.35676491 0.35676891 0.35677122 1.0