# generated using pymatgen data_NaNb2O4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.14026596 _cell_length_b 5.92468104 _cell_length_c 12.03050335 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaNb2O4 _chemical_formula_sum 'Na4 Nb8 O16' _cell_volume 366.38219761 _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 0.81186987 0.25000000 0.00386486 1.0 Na Na1 1 0.81186987 0.75000000 0.49613514 1.0 Na Na2 1 0.18813013 0.25000000 0.50386486 1.0 Na Na3 1 0.18813013 0.75000000 0.99613514 1.0 Nb Nb4 1 0.65493248 0.00000000 0.25000000 1.0 Nb Nb5 1 0.65493248 0.50000000 0.25000000 1.0 Nb Nb6 1 0.83836184 0.25000000 0.74709452 1.0 Nb Nb7 1 0.83836184 0.75000000 0.75290548 1.0 Nb Nb8 1 0.16163816 0.25000000 0.24709452 1.0 Nb Nb9 1 0.16163816 0.75000000 0.25290548 1.0 Nb Nb10 1 0.34506752 0.00000000 0.75000000 1.0 Nb Nb11 1 0.34506752 0.50000000 0.75000000 1.0 O O12 1 0.50374549 0.25000000 0.64609388 1.0 O O13 1 0.50374549 0.75000000 0.85390612 1.0 O O14 1 0.51249359 0.25000000 0.85163396 1.0 O O15 1 0.51249359 0.75000000 0.64836604 1.0 O O16 1 0.98996598 0.50253290 0.14589129 1.0 O O17 1 0.98996598 0.99746710 0.14589129 1.0 O O18 1 0.98996598 0.00253290 0.35410871 1.0 O O19 1 0.98996598 0.49746710 0.35410871 1.0 O O20 1 0.01003402 0.50253290 0.64589129 1.0 O O21 1 0.01003402 0.00253290 0.85410871 1.0 O O22 1 0.01003402 0.49746710 0.85410871 1.0 O O23 1 0.01003402 0.99746710 0.64589129 1.0 O O24 1 0.48750641 0.75000000 0.14836604 1.0 O O25 1 0.48750641 0.25000000 0.35163396 1.0 O O26 1 0.49625451 0.25000000 0.14609388 1.0 O O27 1 0.49625451 0.75000000 0.35390612 1.0