# generated using pymatgen data_NaNb6VSe12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.06420247 _cell_length_b 6.06420434 _cell_length_c 14.05232167 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999525 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaNb6VSe12 _chemical_formula_sum 'Na1 Nb6 V1 Se12' _cell_volume 447.53422656 _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 0.33333300 0.66666700 0.25000000 1.0 Nb Nb1 1 0.00000000 0.00000000 0.52246257 1.0 Nb Nb2 1 0.00000000 0.00000000 0.97753743 1.0 Nb Nb3 1 0.33333300 0.66666700 0.97762116 1.0 Nb Nb4 1 0.66666700 0.33333300 0.97755587 1.0 Nb Nb5 1 0.66666700 0.33333300 0.52244413 1.0 Nb Nb6 1 0.33333300 0.66666700 0.52237884 1.0 V V7 1 0.66666700 0.33333300 0.75000000 1.0 Se Se8 1 0.33249477 0.33033428 0.40367251 1.0 Se Se9 1 0.66966572 0.00216049 0.40367251 1.0 Se Se10 1 0.99783951 0.66750523 0.40367251 1.0 Se Se11 1 0.33104216 0.33333939 0.64050849 1.0 Se Se12 1 0.00229723 0.66895784 0.64050849 1.0 Se Se13 1 0.66666061 0.99770277 0.64050849 1.0 Se Se14 1 0.66666061 0.66895784 0.85949151 1.0 Se Se15 1 0.33104216 0.99770277 0.85949151 1.0 Se Se16 1 0.00229723 0.33333939 0.85949151 1.0 Se Se17 1 0.66966572 0.66750523 0.09632749 1.0 Se Se18 1 0.99783951 0.33033428 0.09632749 1.0 Se Se19 1 0.33249477 0.00216049 0.09632749 1.0