data_image0 _chemical_formula_structural SnS2SnS2SnS2SnS2SnS2SnS2Sn _chemical_formula_sum "Sn7 S12" _cell_length_a 6.527066345411611 _cell_length_b 6.526780826940657 _cell_length_c 24.37203770012099 _cell_angle_alpha 90.0 _cell_angle_beta 90.0 _cell_angle_gamma 120.0075592112897 _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 0.6666269838038078 0.3351580398222627 0.3617318633130226 1.0000 S S1 1.0 0.33463038834017905 0.33477509958351337 0.425585790471205 1.0000 S S2 1.0 0.6665623871975364 0.6667570150777411 0.3028303131979547 1.0000 Sn Sn2 1.0 0.33513366699671376 0.335122299678584 0.6383158647388261 1.0000 S S3 1.0 0.6667200149212223 0.6667369900470348 0.6972040790793477 1.0000 S S4 1.0 0.6665059297061318 0.33433735948059884 0.5744546033559802 1.0000 Sn Sn3 1.0 0.998228336419112 0.9982305550878364 0.3617741987144648 1.0000 S S5 1.0 0.6665916902588734 0.9986097938602414 0.42561962637816303 1.0000 S S6 1.0 0.00022443020118055425 0.3333071720499975 0.30298016197321664 1.0000 Sn Sn4 1.0 0.666712094401136 0.9981720603542846 0.6383009250770514 1.0000 S S7 1.0 0.999947665824087 0.3332848710876282 0.6970669354378876 1.0000 S S8 1.0 0.9988223263898256 0.9990652277873101 0.5744767886162631 1.0000 Sn Sn5 1.0 0.33522234939703355 0.6665823699345526 0.3617728295224255 1.0000 S S9 1.0 0.998996667969569 0.6667769345596432 0.4256193051083498 1.0000 S S10 1.0 0.3332537455447345 0.9998815432091916 0.30298427898637875 1.0000 Sn Sn6 1.0 0.9981847943007145 0.666699733808953 0.6382300820059367 1.0000 S S11 1.0 0.3333796912410336 0.9998801682706419 0.6970657976585873 1.0000 S S12 1.0 0.33478847056851774 0.6667388759916023 0.5744587384226184 1.0000 Sn Sn7 1.0 0.6667040162054694 0.6666556226474576 0.4999720593711173 1.0000