# generated using pymatgen data_Na6V2B4SO16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.93543717 _cell_length_b 9.93543717 _cell_length_c 9.93543717 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na6V2B4SO16 _chemical_formula_sum 'Na12 V4 B8 S2 O32' _cell_volume 693.49917157 _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 0.53082800 0.96917200 0.53082800 1.0 Na Na1 1 0.96917200 0.96917200 0.53082800 1.0 Na Na2 1 0.53082800 0.53082800 0.96917200 1.0 Na Na3 1 0.96917200 0.53082800 0.53082800 1.0 Na Na4 1 0.71917200 0.28082800 0.28082800 1.0 Na Na5 1 0.96917200 0.53082800 0.96917200 1.0 Na Na6 1 0.28082800 0.71917200 0.28082800 1.0 Na Na7 1 0.71917200 0.71917200 0.28082800 1.0 Na Na8 1 0.28082800 0.71917200 0.71917200 1.0 Na Na9 1 0.53082800 0.96917200 0.96917200 1.0 Na Na10 1 0.28082800 0.28082800 0.71917200 1.0 Na Na11 1 0.71917200 0.28082800 0.71917200 1.0 V V12 1 0.12500000 0.12500000 0.12500000 1.0 V V13 1 0.12500000 0.62500000 0.12500000 1.0 V V14 1 0.12500000 0.12500000 0.62500000 1.0 V V15 1 0.62500000 0.12500000 0.12500000 1.0 B B16 1 0.33726900 0.33726900 0.33726900 1.0 B B17 1 0.33726900 0.98819400 0.33726900 1.0 B B18 1 0.26180600 0.91273100 0.91273100 1.0 B B19 1 0.91273100 0.91273100 0.26180600 1.0 B B20 1 0.33726900 0.33726900 0.98819400 1.0 B B21 1 0.98819400 0.33726900 0.33726900 1.0 B B22 1 0.91273100 0.26180600 0.91273100 1.0 B B23 1 0.91273100 0.91273100 0.91273100 1.0 S S24 1 0.75000000 0.75000000 0.75000000 1.0 S S25 1 0.50000000 0.50000000 0.50000000 1.0 O O26 1 0.49306600 0.22199000 0.30184000 1.0 O O27 1 0.94816000 0.02801000 0.26689600 1.0 O O28 1 0.75693400 0.26689600 0.02801000 1.0 O O29 1 0.22199000 0.30184000 0.49306600 1.0 O O30 1 0.22199000 0.98310400 0.30184000 1.0 O O31 1 0.30184000 0.49306600 0.22199000 1.0 O O32 1 0.26689600 0.75693400 0.94816000 1.0 O O33 1 0.30184000 0.98310400 0.49306600 1.0 O O34 1 0.56168600 0.31494100 0.56168600 1.0 O O35 1 0.68831400 0.68831400 0.68831400 1.0 O O36 1 0.98310400 0.30184000 0.22199000 1.0 O O37 1 0.02801000 0.75693400 0.26689600 1.0 O O38 1 0.75693400 0.94816000 0.26689600 1.0 O O39 1 0.98310400 0.22199000 0.49306600 1.0 O O40 1 0.56168600 0.56168600 0.31494100 1.0 O O41 1 0.31494100 0.56168600 0.56168600 1.0 O O42 1 0.93505900 0.68831400 0.68831400 1.0 O O43 1 0.68831400 0.68831400 0.93505900 1.0 O O44 1 0.26689600 0.02801000 0.75693400 1.0 O O45 1 0.49306600 0.30184000 0.98310400 1.0 O O46 1 0.22199000 0.49306600 0.98310400 1.0 O O47 1 0.26689600 0.94816000 0.02801000 1.0 O O48 1 0.56168600 0.56168600 0.56168600 1.0 O O49 1 0.68831400 0.93505900 0.68831400 1.0 O O50 1 0.94816000 0.26689600 0.75693400 1.0 O O51 1 0.98310400 0.49306600 0.30184000 1.0 O O52 1 0.94816000 0.75693400 0.02801000 1.0 O O53 1 0.02801000 0.26689600 0.94816000 1.0 O O54 1 0.02801000 0.94816000 0.75693400 1.0 O O55 1 0.49306600 0.98310400 0.22199000 1.0 O O56 1 0.30184000 0.22199000 0.98310400 1.0 O O57 1 0.75693400 0.02801000 0.94816000 1.0