# generated using pymatgen data_KSn4S3ClO12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.19849770 _cell_length_b 10.19849770 _cell_length_c 8.35333600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999804 _symmetry_Int_Tables_number 1 _chemical_formula_structural KSn4S3ClO12 _chemical_formula_sum 'K2 Sn8 S6 Cl2 O24' _cell_volume 752.42461594 _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 K K0 1 0.33333300 0.66666700 0.97311600 1.0 K K1 1 0.66666700 0.33333300 0.47311600 1.0 Sn Sn2 1 0.33333300 0.66666700 0.45621800 1.0 Sn Sn3 1 0.66666700 0.33333300 0.95621800 1.0 Sn Sn4 1 0.19797000 0.21628000 0.24658300 1.0 Sn Sn5 1 0.78372000 0.98169100 0.24658300 1.0 Sn Sn6 1 0.80203000 0.78372000 0.74658300 1.0 Sn Sn7 1 0.01830900 0.80203000 0.24658300 1.0 Sn Sn8 1 0.21628000 0.01830900 0.74658300 1.0 Sn Sn9 1 0.98169100 0.19797000 0.74658300 1.0 S S10 1 0.04556700 0.40929000 0.25448300 1.0 S S11 1 0.59071000 0.63627700 0.25448300 1.0 S S12 1 0.95443300 0.59071000 0.75448300 1.0 S S13 1 0.36372300 0.95443300 0.25448300 1.0 S S14 1 0.40929000 0.36372300 0.75448300 1.0 S S15 1 0.63627700 0.04556700 0.75448300 1.0 Cl Cl16 1 0.00000000 0.00000000 0.99564100 1.0 Cl Cl17 1 0.00000000 0.00000000 0.49564100 1.0 O O18 1 0.47401500 0.11629000 0.25116100 1.0 O O19 1 0.88371000 0.35772500 0.25116100 1.0 O O20 1 0.52598500 0.88371000 0.75116100 1.0 O O21 1 0.64227500 0.52598500 0.25116100 1.0 O O22 1 0.11629000 0.64227500 0.75116100 1.0 O O23 1 0.35772500 0.47401500 0.75116100 1.0 O O24 1 0.13761600 0.58067700 0.26950600 1.0 O O25 1 0.41932300 0.55693900 0.26950600 1.0 O O26 1 0.86238400 0.41932300 0.76950600 1.0 O O27 1 0.44306100 0.86238400 0.26950600 1.0 O O28 1 0.58067700 0.44306100 0.76950600 1.0 O O29 1 0.55693900 0.13761600 0.76950600 1.0 O O30 1 0.08965600 0.34621700 0.39679200 1.0 O O31 1 0.65378300 0.74343900 0.39679200 1.0 O O32 1 0.91034400 0.65378300 0.89679200 1.0 O O33 1 0.25656100 0.91034400 0.39679200 1.0 O O34 1 0.34621700 0.25656100 0.89679200 1.0 O O35 1 0.74343900 0.08965600 0.89679200 1.0 O O36 1 0.09594600 0.36201800 0.10648300 1.0 O O37 1 0.63798200 0.73392900 0.10648300 1.0 O O38 1 0.90405400 0.63798200 0.60648300 1.0 O O39 1 0.26607100 0.90405400 0.10648300 1.0 O O40 1 0.36201800 0.26607100 0.60648300 1.0 O O41 1 0.73392900 0.09594600 0.60648300 1.0