# generated using pymatgen data_Na5S3ClO12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.90550031 _cell_length_b 9.90550031 _cell_length_c 6.78790300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000210 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na5S3ClO12 _chemical_formula_sum 'Na10 S6 Cl2 O24' _cell_volume 576.79180622 _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 0.33333300 0.66666700 0.98949200 1.0 Na Na1 1 0.66666700 0.33333300 0.01050800 1.0 Na Na2 1 0.66666700 0.33333300 0.48949200 1.0 Na Na3 1 0.33333300 0.66666700 0.51050800 1.0 Na Na4 1 0.25522600 0.25800200 0.25000000 1.0 Na Na5 1 0.74477400 0.74199800 0.75000000 1.0 Na Na6 1 0.74199800 0.99722400 0.25000000 1.0 Na Na7 1 0.25800200 0.00277600 0.75000000 1.0 Na Na8 1 0.00277600 0.74477400 0.25000000 1.0 Na Na9 1 0.99722400 0.25522600 0.75000000 1.0 S S10 1 0.03100600 0.41055700 0.25000000 1.0 S S11 1 0.96899400 0.58944300 0.75000000 1.0 S S12 1 0.58944300 0.62044900 0.25000000 1.0 S S13 1 0.41055700 0.37955100 0.75000000 1.0 S S14 1 0.37955100 0.96899400 0.25000000 1.0 S S15 1 0.62044900 0.03100600 0.75000000 1.0 Cl Cl16 1 0.00000000 0.00000000 0.00000000 1.0 Cl Cl17 1 0.00000000 0.00000000 0.50000000 1.0 O O18 1 0.12240400 0.58498400 0.25000000 1.0 O O19 1 0.87759600 0.41501600 0.75000000 1.0 O O20 1 0.41501600 0.53741900 0.25000000 1.0 O O21 1 0.58498400 0.46258100 0.75000000 1.0 O O22 1 0.46258100 0.87759600 0.25000000 1.0 O O23 1 0.53741900 0.12240400 0.75000000 1.0 O O24 1 0.49227000 0.13796800 0.25000000 1.0 O O25 1 0.50773000 0.86203200 0.75000000 1.0 O O26 1 0.86203200 0.35430100 0.25000000 1.0 O O27 1 0.13796800 0.64569900 0.75000000 1.0 O O28 1 0.64569900 0.50773000 0.25000000 1.0 O O29 1 0.35430100 0.49227000 0.75000000 1.0 O O30 1 0.07961000 0.35566600 0.07337500 1.0 O O31 1 0.92039000 0.64433400 0.92662500 1.0 O O32 1 0.64433400 0.72394400 0.07337500 1.0 O O33 1 0.92039000 0.64433400 0.57337500 1.0 O O34 1 0.35566600 0.27605600 0.92662500 1.0 O O35 1 0.07961000 0.35566600 0.42662500 1.0 O O36 1 0.27605600 0.92039000 0.07337500 1.0 O O37 1 0.35566600 0.27605600 0.57337500 1.0 O O38 1 0.72394400 0.07961000 0.92662500 1.0 O O39 1 0.64433400 0.72394400 0.42662500 1.0 O O40 1 0.72394400 0.07961000 0.57337500 1.0 O O41 1 0.27605600 0.92039000 0.42662500 1.0