# generated using pymatgen data_NaNb6VS12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.82238358 _cell_length_b 5.82238437 _cell_length_c 13.43232656 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999551 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaNb6VS12 _chemical_formula_sum 'Na1 Nb6 V1 S12' _cell_volume 394.35157366 _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 0.52349231 1.0 Nb Nb2 1 0.00000000 0.00000000 0.97650769 1.0 Nb Nb3 1 0.33333300 0.66666700 0.97609539 1.0 Nb Nb4 1 0.66666700 0.33333300 0.97913142 1.0 Nb Nb5 1 0.66666700 0.33333300 0.52086858 1.0 Nb Nb6 1 0.33333300 0.66666700 0.52390461 1.0 V V7 1 0.66666700 0.33333300 0.75000000 1.0 S S8 1 0.33071037 0.33185350 0.40624173 1.0 S S9 1 0.66814650 0.99885688 0.40624173 1.0 S S10 1 0.00114312 0.66928963 0.40624173 1.0 S S11 1 0.33543410 0.33316952 0.63941799 1.0 S S12 1 0.99773542 0.66456590 0.63941799 1.0 S S13 1 0.66683048 0.00226458 0.63941799 1.0 S S14 1 0.66683048 0.66456590 0.86058201 1.0 S S15 1 0.33543410 0.00226458 0.86058201 1.0 S S16 1 0.99773542 0.33316952 0.86058201 1.0 S S17 1 0.66814650 0.66928963 0.09375827 1.0 S S18 1 0.00114312 0.33185350 0.09375827 1.0 S S19 1 0.33071037 0.99885688 0.09375827 1.0