# generated using pymatgen data_S2N3ClO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.92997400 _cell_length_b 13.43636900 _cell_length_c 14.12367700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural S2N3ClO6 _chemical_formula_sum 'S8 N12 Cl4 O24' _cell_volume 935.56577949 _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 S S0 1 0.00000000 0.02799300 0.87955800 1.0 S S1 1 0.00000000 0.97200700 0.12044200 1.0 S S2 1 0.00000000 0.47200700 0.37955800 1.0 S S3 1 0.00000000 0.52799300 0.62044200 1.0 S S4 1 0.00000000 0.37983100 0.95998600 1.0 S S5 1 0.00000000 0.62016900 0.04001400 1.0 S S6 1 0.00000000 0.12016900 0.45998600 1.0 S S7 1 0.00000000 0.87983100 0.54001400 1.0 N N8 1 0.50000000 0.50607900 0.81064600 1.0 N N9 1 0.50000000 0.49392100 0.18935400 1.0 N N10 1 0.50000000 0.99392100 0.31064600 1.0 N N11 1 0.50000000 0.00607900 0.68935400 1.0 N N12 1 0.50000000 0.18017900 0.99668800 1.0 N N13 1 0.50000000 0.81982100 0.00331200 1.0 N N14 1 0.50000000 0.31982100 0.49668800 1.0 N N15 1 0.50000000 0.68017900 0.50331200 1.0 N N16 1 0.00000000 0.24300200 0.72405200 1.0 N N17 1 0.00000000 0.75699800 0.27594800 1.0 N N18 1 0.00000000 0.25699800 0.22405200 1.0 N N19 1 0.00000000 0.74300200 0.77594800 1.0 Cl Cl20 1 0.50000000 0.23787400 0.73425600 1.0 Cl Cl21 1 0.50000000 0.76212600 0.26574400 1.0 Cl Cl22 1 0.50000000 0.26212600 0.23425600 1.0 Cl Cl23 1 0.50000000 0.73787400 0.76574400 1.0 O O24 1 0.00000000 0.40768900 0.86124900 1.0 O O25 1 0.00000000 0.59231100 0.13875100 1.0 O O26 1 0.00000000 0.09231100 0.36124900 1.0 O O27 1 0.00000000 0.90768900 0.63875100 1.0 O O28 1 0.24979300 0.36770900 0.01013600 1.0 O O29 1 0.24979300 0.63229100 0.98986400 1.0 O O30 1 0.75020700 0.13229100 0.51013600 1.0 O O31 1 0.75020700 0.86770900 0.48986400 1.0 O O32 1 0.75020700 0.63229100 0.98986400 1.0 O O33 1 0.75020700 0.36770900 0.01013600 1.0 O O34 1 0.24979300 0.86770900 0.48986400 1.0 O O35 1 0.24979300 0.13229100 0.51013600 1.0 O O36 1 0.00000000 0.13203200 0.90563700 1.0 O O37 1 0.00000000 0.86796800 0.09436300 1.0 O O38 1 0.00000000 0.36796800 0.40563700 1.0 O O39 1 0.00000000 0.63203200 0.59436300 1.0 O O40 1 0.24989900 0.97543400 0.86858300 1.0 O O41 1 0.24989900 0.02456600 0.13141700 1.0 O O42 1 0.75010100 0.52456600 0.36858300 1.0 O O43 1 0.75010100 0.47543400 0.63141700 1.0 O O44 1 0.75010100 0.02456600 0.13141700 1.0 O O45 1 0.75010100 0.97543400 0.86858300 1.0 O O46 1 0.24989900 0.47543400 0.63141700 1.0 O O47 1 0.24989900 0.52456600 0.36858300 1.0