data_image0 _chemical_formula_structural SnS2SnS2SnS2SnS2SnS2SnS2Sn2 _chemical_formula_sum "Sn8 S12" _cell_length_a 6.678089351178908 _cell_length_b 6.679791578279057 _cell_length_c 24.65400464305802 _cell_angle_alpha 90.0 _cell_angle_beta 90.0 _cell_angle_gamma 120.00158567892184 _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 0.6666646145391915 0.3332580943723191 0.3566028362242371 1.0000 S S1 1.0 0.37408985100479375 0.37405034079501626 0.43369296448196654 1.0000 S S2 1.0 0.6581374721614965 0.6580789969037569 0.3029903485518874 1.0000 Sn Sn2 1.0 0.33151330566581055 0.3314901200242813 0.6380672007551297 1.0000 S S3 1.0 0.6666267357103178 0.33327614011102896 0.6940769602239151 1.0000 S S4 1.0 0.6652262976593902 0.6652054579145559 0.568899670177895 1.0000 Sn Sn3 1.0 1.2794327764565802e-05 0.9999725795773166 0.36655268995191825 1.0000 S S5 1.0 0.6259003844064336 0.9999729034848973 0.4336968052373072 1.0000 S S6 1.0 0.9999768389952053 0.3418321005943524 0.30299564140397733 1.0000 Sn Sn4 1.0 0.6685616923019078 1.0080336763688122e-06 0.6380671825025169 1.0000 S S7 1.0 9.764884354166339e-06 0.9999966436550586 0.6958884488906286 1.0000 S S8 1.0 5.465153304426729e-06 0.33470677025240714 0.5689118799589978 1.0000 Sn Sn5 1.0 0.3333171615619621 0.666649333291671 0.35660661167578533 1.0000 S S9 1.0 1.9594117300968623e-06 0.6258777900465549 0.43368620695910515 1.0000 S S10 1.0 0.34187550058212485 0.9999437964024902 0.30299549457184793 1.0000 Sn Sn6 1.0 3.6449488936482375e-05 0.6685346287353057 0.638065507318278 1.0000 S S11 1.0 0.33331264209785455 0.666615511431785 0.6940760918051608 1.0000 S S12 1.0 0.33472244923737654 0.999959448154695 0.5689136520848911 1.0000 Sn Sn7 1.0 0.6666848219428576 0.33330452450762854 0.5022696129606978 1.0000 Sn Sn8 1.0 0.33335251999455573 0.6666456297686918 0.5022735364612164 1.0000