# generated using pymatgen data_SrSi216 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 16.40618400 _cell_length_b 16.40618400 _cell_length_c 16.40618400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrSi216 _chemical_formula_sum 'Sr1 Si216' _cell_volume 4415.93562766 _cell_formula_units_Z 1 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 Sr Sr1 1 0.083330 0.249972 0.083271 1 Si Si2 1 0.259343 0.250007 0.083278 1 Si Si3 1 0.250916 0.250268 0.418322 1 Si Si4 1 0.250940 0.249726 0.748273 1 Si Si5 1 0.250940 0.584976 0.083561 1 Si Si6 1 0.250544 0.584809 0.418095 1 Si Si7 1 0.250178 0.583563 0.749685 1 Si Si8 1 0.251001 0.914988 0.083055 1 Si Si9 1 0.250199 0.916465 0.416897 1 Si Si10 1 0.250596 0.915215 0.748483 1 Si Si11 1 0.583315 0.250064 0.083422 1 Si Si12 1 0.583304 0.250058 0.417305 1 Si Si13 1 0.583335 0.249999 0.749307 1 Si Si14 1 0.583278 0.583997 0.083250 1 Si Si15 1 0.583482 0.583598 0.416946 1 Si Si16 1 0.583163 0.583582 0.749732 1 Si Si17 1 0.583251 0.915989 0.083369 1 Si Si18 1 0.583202 0.916361 0.416928 1 Si Si19 1 0.583491 0.916443 0.749744 1 Si Si20 1 0.907309 0.249984 0.083314 1 Si Si21 1 0.915670 0.249699 0.418290 1 Si Si22 1 0.915664 0.250289 0.748275 1 Si Si23 1 0.915707 0.585002 0.083020 1 Si Si24 1 0.916407 0.583593 0.416783 1 Si Si25 1 0.916082 0.584800 0.748491 1 Si Si26 1 0.915718 0.914988 0.083540 1 Si Si27 1 0.916044 0.915191 0.418084 1 Si Si28 1 0.916406 0.916452 0.749830 1 Si Si29 1 0.998260 0.996656 0.998204 1 Si Si30 1 0.000606 0.997344 0.335911 1 Si Si31 1 0.999645 0.999123 0.666037 1 Si Si32 1 0.990243 0.343072 0.990218 1 Si Si33 1 0.998218 0.335053 0.336645 1 Si Si34 1 0.999721 0.333591 0.665916 1 Si Si35 1 0.999815 0.667359 0.999763 1 Si Si36 1 0.999656 0.667364 0.334112 1 Si Si37 1 0.999965 0.667350 0.665985 1 Si Si38 1 0.335980 0.997364 0.000566 1 Si Si39 1 0.333653 0.999689 0.333699 1 Si Si40 1 0.333646 0.999709 0.666253 1 Si Si41 1 0.336666 0.335088 0.998180 1 Si Si42 1 0.335922 0.332723 0.335944 1 Si Si43 1 0.334176 0.333634 0.665982 1 Si Si44 1 0.334186 0.667292 0.999693 1 Si Si45 1 0.333659 0.667028 0.333659 1 Si Si46 1 0.333584 0.666732 0.666478 1 Si Si47 1 0.665950 0.999151 0.999764 1 Si Si48 1 0.666235 0.999665 0.333642 1 Si Si49 1 0.666636 0.999726 0.666564 1 Si Si50 1 0.665962 0.333546 0.999778 1 Si Si51 1 0.666010 0.333680 0.334176 1 Si Si52 1 0.666016 0.333395 0.665982 1 Si Si53 1 0.665942 0.667340 0.999872 1 Si Si54 1 0.666606 0.666701 0.333568 1 Si Si55 1 0.666576 0.666782 0.666633 1 Si Si56 1 0.250326 0.083005 0.250320 1 Si Si57 1 0.250315 0.082988 0.583183 1 Si Si58 1 0.257622 0.075723 0.908991 1 Si Si59 1 0.257547 0.424271 0.257587 1 Si Si60 1 0.250344 0.417037 0.583411 1 Si Si61 1 0.250307 0.416990 0.916270 1 Si Si62 1 0.250354 0.750126 0.250397 1 Si Si63 1 0.250421 0.750012 0.583226 1 Si Si64 1 0.250405 0.749874 0.916279 1 Si Si65 1 0.583132 0.082996 0.250394 1 Si Si66 1 0.583384 0.082913 0.583302 1 Si Si67 1 0.583452 0.083005 0.916327 1 Si Si68 1 0.583453 0.417075 0.250334 1 Si Si69 1 0.583382 0.417100 0.583314 1 Si Si70 1 0.583194 0.417002 0.916281 1 Si Si71 1 0.583326 0.749944 0.250407 1 Si Si72 1 0.583428 0.750055 0.583405 1 Si Si73 1 0.583241 0.749995 0.916215 1 Si Si74 1 0.909042 0.075699 0.257545 1 Si Si75 1 0.916269 0.082942 0.583432 1 Si Si76 1 0.916323 0.083019 0.916329 1 Si Si77 1 0.916330 0.416986 0.250300 1 Si Si78 1 0.916264 0.417049 0.583121 1 Si Si79 1 0.909084 0.424277 0.909007 1 Si Si80 1 0.916257 0.749884 0.250241 1 Si Si81 1 0.916235 0.750013 0.583370 1 Si Si82 1 0.916342 0.750126 0.916285 1 Si Si83 1 0.990251 0.156874 0.176375 1 Si Si84 1 0.999723 0.166400 0.500643 1 Si Si85 1 0.998191 0.164944 0.829955 1 Si Si86 1 0.998224 0.503334 0.168381 1 Si Si87 1 0.999641 0.500895 0.500555 1 Si Si88 1 0.000643 0.502632 0.830641 1 Si Si89 1 0.999809 0.832619 0.166810 1 Si Si90 1 0.999885 0.832688 0.500682 1 Si Si91 1 0.999729 0.832688 0.832451 1 Si Si92 1 0.336644 0.164914 0.168383 1 Si Si93 1 0.334163 0.166404 0.500650 1 Si Si94 1 0.335989 0.167285 0.830637 1 Si Si95 1 0.335936 0.502611 0.166026 1 Si Si96 1 0.333629 0.500325 0.500313 1 Si Si97 1 0.333616 0.500335 0.832896 1 Si Si98 1 0.334191 0.832681 0.166997 1 Si Si99 1 0.333651 0.833274 0.500033 1 Si Si100 1 0.333659 0.832968 0.832956 1 Si Si101 1 0.665937 0.166457 0.166937 1 Si Si102 1 0.665977 0.166636 0.500608 1 Si Si103 1 0.666012 0.166375 0.832468 1 Si Si104 1 0.665981 0.500859 0.166858 1 Si Si105 1 0.666641 0.500299 0.500083 1 Si Si106 1 0.666270 0.500323 0.832998 1 Si Si107 1 0.665952 0.832635 0.166703 1 Si Si108 1 0.666603 0.833201 0.500079 1 Si Si109 1 0.666554 0.833284 0.833122 1 Si Si110 1 0.083312 0.249984 0.259310 1 Si Si111 1 0.083214 0.249994 0.583273 1 Si Si112 1 0.083321 0.250009 0.907255 1 Si Si113 1 0.083555 0.585000 0.250932 1 Si Si114 1 0.083288 0.584034 0.583236 1 Si Si115 1 0.083085 0.585011 0.915662 1 Si Si116 1 0.083081 0.914990 0.250900 1 Si Si117 1 0.083292 0.916004 0.583344 1 Si Si118 1 0.083620 0.914983 0.915696 1 Si Si119 1 0.418283 0.250271 0.250929 1 Si Si120 1 0.417343 0.250032 0.583298 1 Si Si121 1 0.418345 0.249736 0.915682 1 Si Si122 1 0.418108 0.584779 0.250577 1 Si Si123 1 0.416958 0.583570 0.583390 1 Si Si124 1 0.416810 0.583535 0.916372 1 Si Si125 1 0.416854 0.916451 0.250269 1 Si Si126 1 0.416956 0.916440 0.583196 1 Si Si127 1 0.418149 0.915195 0.916023 1 Si Si128 1 0.748314 0.249768 0.250957 1 Si Si129 1 0.749318 0.250031 0.583260 1 Si Si130 1 0.748321 0.250271 0.915694 1 Si Si131 1 0.749741 0.583553 0.250080 1 Si Si132 1 0.749757 0.583667 0.583214 1 Si Si133 1 0.748518 0.584800 0.916049 1 Si Si134 1 0.748473 0.915202 0.250551 1 Si Si135 1 0.749772 0.916371 0.583435 1 Si Si136 1 0.749731 0.916514 0.916478 1 Si Si137 1 0.168452 0.996651 0.168385 1 Si Si138 1 0.166918 0.999135 0.500645 1 Si Si139 1 0.166035 0.997368 0.830656 1 Si Si140 1 0.176386 0.343084 0.176382 1 Si Si141 1 0.166839 0.333549 0.500682 1 Si Si142 1 0.168407 0.335087 0.829915 1 Si Si143 1 0.166928 0.667323 0.166912 1 Si Si144 1 0.166676 0.667384 0.500584 1 Si Si145 1 0.166995 0.667322 0.832445 1 Si Si146 1 0.500583 0.999149 0.166996 1 Si Si147 1 0.500100 0.999748 0.500057 1 Si Si148 1 0.500394 0.999715 0.833003 1 Si Si149 1 0.500642 0.333607 0.166910 1 Si Si150 1 0.500672 0.333447 0.500652 1 Si Si151 1 0.500640 0.333625 0.832434 1 Si Si152 1 0.500655 0.667297 0.166714 1 Si Si153 1 0.500191 0.666809 0.500155 1 Si Si154 1 0.499997 0.666749 0.833001 1 Si Si155 1 0.830668 0.997334 0.165997 1 Si Si156 1 0.832990 0.999668 0.500332 1 Si Si157 1 0.832956 0.999697 0.833004 1 Si Si158 1 0.829994 0.335081 0.168393 1 Si Si159 1 0.832454 0.333645 0.500562 1 Si Si160 1 0.830679 0.332740 0.830672 1 Si Si161 1 0.832423 0.667329 0.166844 1 Si Si162 1 0.833088 0.666775 0.500052 1 Si Si163 1 0.833044 0.667019 0.833025 1 Si Si164 1 0.083368 0.073959 0.083278 1 Si Si165 1 0.083045 0.082353 0.418298 1 Si Si166 1 0.083537 0.082382 0.748318 1 Si Si167 1 0.083312 0.426006 0.083299 1 Si Si168 1 0.083544 0.417605 0.418313 1 Si Si169 1 0.083077 0.417632 0.748240 1 Si Si170 1 0.083441 0.749945 0.083313 1 Si Si171 1 0.083252 0.750052 0.417294 1 Si Si172 1 0.083379 0.750021 0.749303 1 Si Si173 1 0.418318 0.082381 0.083053 1 Si Si174 1 0.416864 0.083148 0.416911 1 Si Si175 1 0.418166 0.082753 0.748473 1 Si Si176 1 0.418304 0.417624 0.083547 1 Si Si177 1 0.418120 0.417271 0.418086 1 Si Si178 1 0.416869 0.416870 0.749744 1 Si Si179 1 0.417308 0.749973 0.083357 1 Si Si180 1 0.416977 0.750081 0.416930 1 Si Si181 1 0.416892 0.749894 0.749637 1 Si Si182 1 0.748284 0.082399 0.083609 1 Si Si183 1 0.748490 0.082724 0.418099 1 Si Si184 1 0.749783 0.083155 0.749754 1 Si Si185 1 0.748346 0.417619 0.083027 1 Si Si186 1 0.749792 0.416944 0.416823 1 Si Si187 1 0.748525 0.417301 0.748503 1 Si Si188 1 0.749286 0.750033 0.083234 1 Si Si189 1 0.749754 0.749862 0.416867 1 Si Si190 1 0.749718 0.750127 0.749828 1 Si Si191 1 0.176423 0.156928 0.990182 1 Si Si192 1 0.168395 0.164907 0.336652 1 Si Si193 1 0.166815 0.166455 0.665937 1 Si Si194 1 0.168402 0.503319 0.998202 1 Si Si195 1 0.165986 0.502626 0.335953 1 Si Si196 1 0.166923 0.500891 0.665918 1 Si Si197 1 0.166939 0.832631 0.999755 1 Si Si198 1 0.166943 0.832712 0.334193 1 Si Si199 1 0.166759 0.832667 0.665929 1 Si Si200 1 0.500703 0.166489 0.999812 1 Si Si201 1 0.500588 0.166420 0.334208 1 Si Si202 1 0.500702 0.166620 0.665932 1 Si Si203 1 0.500592 0.500856 0.999625 1 Si Si204 1 0.500380 0.500349 0.333650 1 Si Si205 1 0.500076 0.500245 0.666556 1 Si Si206 1 0.500614 0.832647 0.999947 1 Si Si207 1 0.500086 0.833220 0.333588 1 Si Si208 1 0.500142 0.833278 0.666560 1 Si Si209 1 0.829961 0.164911 0.998241 1 Si Si210 1 0.830672 0.167252 0.335917 1 Si Si211 1 0.832448 0.166395 0.665951 1 Si Si212 1 0.830705 0.502631 0.000563 1 Si Si213 1 0.832966 0.500380 0.333566 1 Si Si214 1 0.833005 0.500344 0.666246 1 Si Si215 1 0.832469 0.832710 0.999637 1 Si Si216 1 0.832999 0.832968 0.333575 1 Si Si217 1 0.833041 0.833241 0.666645 1