data_image0 _chemical_formula_structural SnS2SnS2SnS2SnS2SnS2SnS2Sn3 _chemical_formula_sum "Sn9 S12" _cell_length_a 6.737092111192405 _cell_length_b 6.740028204231179 _cell_length_c 25.56854521723013 _cell_angle_alpha 90.0 _cell_angle_beta 90.0 _cell_angle_gamma 120.00025536050929 _space_group_name_H-M_alt "P 1" _space_group_IT_number 1 loop_ _space_group_symop_operation_xyz '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 Sn Sn1 1.0 0.6671659411675056 0.333510552435773 0.3480393438263838 1.0000 S S1 1.0 0.33316636294555596 0.33334131212768253 0.46229142955050323 1.0000 S S2 1.0 0.6670217469072801 0.6667413010917106 0.293642865724738 1.0000 Sn Sn2 1.0 0.3331834011337896 0.33324301530450434 0.6530986240369682 1.0000 S S3 1.0 0.6664725978465802 0.3331955616685349 0.7066416492020231 1.0000 S S4 1.0 0.6665206694524962 0.6665933378156624 0.5867398095019656 1.0000 Sn Sn3 1.0 0.00045603202654223026 0.0001693532110732521 0.34802156455907957 1.0000 S S5 1.0 0.6664197180602484 0.9997391996878524 0.46229977144082934 1.0000 S S6 1.0 0.000261648946141254 0.33341772778314954 0.2936379557856338 1.0000 Sn Sn4 1.0 0.6665344480545987 0.9999531437408885 0.6530793765594203 1.0000 S S7 1.0 0.9997453974373194 0.9999003949896479 0.7066379696809866 1.0000 S S8 1.0 0.9999315946485486 0.3332941972073031 0.5867425038281157 1.0000 Sn Sn5 1.0 0.3338022288329558 0.6668374233274905 0.34801878927408003 1.0000 S S9 1.0 2.3842083069935736e-05 0.6666144916750985 0.4622960923108984 1.0000 S S10 1.0 0.3336714893792853 0.00013388476350630022 0.2936475707245328 1.0000 Sn Sn6 1.0 0.9998084473794929 0.6665856642261201 0.6530849854041465 1.0000 S S11 1.0 0.333172694373798 0.6666127052895184 0.7066205357598849 1.0000 S S12 1.0 0.33318199960605777 0.9998859341145541 0.586740402417983 1.0000 Sn Sn7 1.0 0.6665988895421111 0.3332633631207599 0.5174077292080348 1.0000 Sn Sn8 1.0 0.3332779648239658 0.6665955239023467 0.5174626724982401 1.0000 Sn Sn9 1.0 0.9999507215158556 0.9999444136386522 0.5174205128841188 1.0000