data_image0 _chemical_formula_structural S48 _chemical_formula_sum "S48" _cell_length_a 11.043561189753422 _cell_length_b 11.007374 _cell_length_c 11.148091763165615 _cell_angle_alpha 90.0 _cell_angle_beta 96.22539630654035 _cell_angle_gamma 90.0 _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 S S1 1.0 0.9272214222 0.6619726013 0.005520362499999999 1.0000 S S2 1.0 0.42683724549999996 0.16569801299999998 0.0170092138 1.0000 S S3 1.0 0.7889495074 0.39222615679999995 0.0314408523 1.0000 S S4 1.0 0.9547281564 0.48131098299999997 0.047357071199999996 1.0000 S S5 1.0 0.29442702240000007 0.4380190952 0.0484155509 1.0000 S S6 1.0 0.4585335458 0.34606164919999993 0.0578040208 1.0000 S S7 1.0 0.737948255 0.0206270814 0.11789831919999999 1.0000 S S8 1.0 0.2372055757 0.8091284988 0.1349490114 1.0000 S S9 1.0 0.5561880011 0.6379559739 0.1632649007 1.0000 S S10 1.0 0.0485576098 0.1894230177 0.17331320379999998 1.0000 S S11 1.0 0.8554809093 0.9140835952 0.22911382219999998 1.0000 S S12 1.0 0.3493712702 0.916601907 0.2505132007 1.0000 S S13 1.0 0.7271999332 0.6397911073 0.2590225218 1.0000 S S14 1.0 0.2162351191 0.1888252366 0.27508798 1.0000 S S15 1.0 0.1639121992 0.5520581021 0.32722127979999993 1.0000 S S16 1.0 0.7544391357 0.8095300477999999 0.335148568 1.0000 S S17 1.0 0.8238372562000001 0.2907814343 0.34366612709999994 1.0000 S S18 1.0 0.24303445209999996 0.019744037 0.3526539539 1.0000 S S19 1.0 0.5489502137 0.17858210319999998 0.3803368515 1.0000 S S20 1.0 0.6517274952 0.33512625259999995 0.3845669903 1.0000 S S21 1.0 0.3227106549 0.48020626899999996 0.4134171267 1.0000 S S22 1.0 0.4509850059 0.6153484019 0.4456215236 1.0000 S S23 1.0 0.0464101288 0.5895502415 0.4538994262 1.0000 S S24 1.0 0.0604249876 0.7710385783 0.4992992369 1.0000 S S25 1.0 0.9395748595 0.27103921429999994 0.5007010329 1.0000 S S26 1.0 0.9535897183 0.089549969 0.5461008436 1.0000 S S27 1.0 0.5490148412 0.1153481294 0.5543787462 1.0000 S S28 1.0 0.6772891922 0.9802065415 0.5865831430999999 1.0000 S S29 1.0 0.3482723519 0.8351256167 0.6154332796 1.0000 S S30 1.0 0.4510495391 0.6785823758 0.619662516 1.0000 S S31 1.0 0.756965395 0.5197443096 0.6473463159 1.0000 S S32 1.0 0.17616349689999997 0.7907817068999999 0.6563341472 1.0000 S S33 1.0 0.24556071139999996 0.3095306836999999 0.6648517018 1.0000 S S34 1.0 0.8360875536 0.052057829599999994 0.6727780877 1.0000 S S35 1.0 0.783764728 0.6888255092 0.7249122899 1.0000 S S36 1.0 0.27279981949999993 0.13979083479999999 0.7409768457 1.0000 S S37 1.0 0.6506285768999999 0.41660163449999993 0.7494870690999998 1.0000 S S38 1.0 0.1445189378 0.4140842312 0.7708864476 1.0000 S S39 1.0 0.9514422373 0.6894223817999999 0.826687066 1.0000 S S40 1.0 0.44381184599999995 0.1379557013 0.8367353691 1.0000 S S41 1.0 0.7627942713999999 0.3091282262 0.8650512583999999 1.0000 S S42 1.0 0.2620514978 0.520627354 0.8821010483 1.0000 S S43 1.0 0.5414663013 0.8460610132999999 0.9421962489999999 1.0000 S S44 1.0 0.7055727304 0.9380184592999999 0.9515838165999999 1.0000 S S45 1.0 0.04527169069999999 0.9813112554999999 0.9526431985999999 1.0000 S S46 1.0 0.21105033969999998 0.8922255207999998 0.9685594175 1.0000 S S47 1.0 0.5731625071999998 0.665697377 0.9829901536999999 1.0000 S S48 1.0 0.0727784249 0.1619723287 0.9944799073 1.0000