# generated using pymatgen data_Si215Pb _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 Si215Pb _chemical_formula_sum 'Si215 Pb1' _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 Si Si1 1 0.249998 0.250032 0.417032 1 Si Si2 1 0.249962 0.250001 0.749668 1 Si Si3 1 0.249991 0.583697 0.083342 1 Si Si4 1 0.250042 0.584557 0.417912 1 Si Si5 1 0.249960 0.584602 0.748752 1 Si Si6 1 0.249991 0.916331 0.083330 1 Si Si7 1 0.249955 0.915459 0.417888 1 Si Si8 1 0.250049 0.915424 0.748753 1 Si Si9 1 0.583695 0.250010 0.083316 1 Si Si10 1 0.584575 0.250032 0.417913 1 Si Si11 1 0.584579 0.249976 0.748742 1 Si Si12 1 0.584540 0.584572 0.083371 1 Si Si13 1 0.583263 0.583305 0.416549 1 Si Si14 1 0.583431 0.583404 0.749855 1 Si Si15 1 0.584558 0.915415 0.083284 1 Si Si16 1 0.583455 0.916595 0.416709 1 Si Si17 1 0.583253 0.916795 0.749991 1 Si Si18 1 0.916298 0.250004 0.083340 1 Si Si19 1 0.915447 0.249971 0.417925 1 Si Si20 1 0.915452 0.250037 0.748774 1 Si Si21 1 0.915431 0.584551 0.083298 1 Si Si22 1 0.916530 0.583430 0.416764 1 Si Si23 1 0.916707 0.583333 0.750142 1 Si Si24 1 0.915424 0.915428 0.083370 1 Si Si25 1 0.916814 0.916675 0.416611 1 Si Si26 1 0.916534 0.916534 0.749937 1 Si Si27 1 0.998221 0.998188 0.999759 1 Si Si28 1 0.000205 0.000171 0.333125 1 Si Si29 1 0.999833 0.999743 0.666367 1 Si Si30 1 0.999956 0.333382 0.999948 1 Si Si31 1 0.998218 0.333572 0.335131 1 Si Si32 1 0.999853 0.333455 0.666361 1 Si Si33 1 0.999805 0.666932 0.999807 1 Si Si34 1 0.999829 0.666950 0.333512 1 Si Si35 1 0.999747 0.666713 0.666660 1 Si Si36 1 0.333390 0.999973 0.999948 1 Si Si37 1 0.333573 0.998231 0.335119 1 Si Si38 1 0.333502 0.999829 0.666369 1 Si Si39 1 0.341890 0.341899 0.991425 1 Si Si40 1 0.333399 0.333398 0.333370 1 Si Si41 1 0.333513 0.333548 0.666380 1 Si Si42 1 0.333568 0.666980 0.999822 1 Si Si43 1 0.333443 0.666973 0.333482 1 Si Si44 1 0.333597 0.667359 0.665967 1 Si Si45 1 0.666907 0.999818 0.999802 1 Si Si46 1 0.667038 0.999846 0.333481 1 Si Si47 1 0.666762 0.999737 0.666540 1 Si Si48 1 0.667013 0.333512 0.999758 1 Si Si49 1 0.666953 0.333459 0.333490 1 Si Si50 1 0.667387 0.333565 0.665969 1 Si Si51 1 0.667334 0.667345 0.999772 1 Si Si52 1 0.666747 0.666747 0.333583 1 Si Si53 1 0.666699 0.666702 0.666531 1 Si Si54 1 0.250193 0.080758 0.252578 1 Si Si55 1 0.249993 0.083180 0.583391 1 Si Si56 1 0.249809 0.080753 0.914083 1 Si Si57 1 0.249793 0.419244 0.252588 1 Si Si58 1 0.249950 0.416845 0.583380 1 Si Si59 1 0.250197 0.419269 0.914086 1 Si Si60 1 0.249971 0.750079 0.250180 1 Si Si61 1 0.250086 0.750010 0.583234 1 Si Si62 1 0.250039 0.749962 0.916488 1 Si Si63 1 0.583712 0.083115 0.250238 1 Si Si64 1 0.583557 0.083120 0.583368 1 Si Si65 1 0.583398 0.083421 0.916699 1 Si Si66 1 0.583394 0.416577 0.249954 1 Si Si67 1 0.583550 0.416896 0.583219 1 Si Si68 1 0.583694 0.416892 0.916416 1 Si Si69 1 0.583521 0.749901 0.250223 1 Si Si70 1 0.583479 0.749974 0.583290 1 Si Si71 1 0.583503 0.750095 0.916428 1 Si Si72 1 0.916588 0.083370 0.249905 1 Si Si73 1 0.916518 0.083042 0.583271 1 Si Si74 1 0.916326 0.083068 0.916426 1 Si Si75 1 0.916331 0.416920 0.250252 1 Si Si76 1 0.916492 0.416914 0.583472 1 Si Si77 1 0.916546 0.416613 0.916753 1 Si Si78 1 0.916503 0.750068 0.250257 1 Si Si79 1 0.916494 0.750006 0.583396 1 Si Si80 1 0.916461 0.749938 0.916429 1 Si Si81 1 0.999972 0.166624 0.166719 1 Si Si82 1 0.999826 0.166461 0.500268 1 Si Si83 1 0.998211 0.166422 0.831552 1 Si Si84 1 0.998226 0.501807 0.166915 1 Si Si85 1 0.999785 0.500205 0.500340 1 Si Si86 1 0.000169 0.499807 0.833540 1 Si Si87 1 0.999824 0.833022 0.166797 1 Si Si88 1 0.999777 0.833230 0.500100 1 Si Si89 1 0.999837 0.833015 0.833167 1 Si Si90 1 0.341894 0.158112 0.175230 1 Si Si91 1 0.333522 0.166504 0.500376 1 Si Si92 1 0.333388 0.166611 0.833295 1 Si Si93 1 0.333368 0.500026 0.166721 1 Si Si94 1 0.333467 0.500147 0.500321 1 Si Si95 1 0.333558 0.501825 0.831553 1 Si Si96 1 0.333538 0.833070 0.166901 1 Si Si97 1 0.333626 0.832707 0.500605 1 Si Si98 1 0.333487 0.833054 0.833181 1 Si Si99 1 0.667010 0.166487 0.166869 1 Si Si100 1 0.667408 0.166436 0.500657 1 Si Si101 1 0.666942 0.166515 0.833153 1 Si Si102 1 0.666900 0.500171 0.166852 1 Si Si103 1 0.666715 0.500309 0.500039 1 Si Si104 1 0.666989 0.500195 0.833163 1 Si Si105 1 0.667345 0.832675 0.166928 1 Si Si106 1 0.666656 0.833306 0.500051 1 Si Si107 1 0.666657 0.833316 0.833045 1 Si Si108 1 0.080754 0.250203 0.252590 1 Si Si109 1 0.083146 0.249969 0.583267 1 Si Si110 1 0.080745 0.249795 0.914092 1 Si Si111 1 0.083136 0.583711 0.250213 1 Si Si112 1 0.083091 0.583514 0.583456 1 Si Si113 1 0.083397 0.583424 0.916713 1 Si Si114 1 0.083368 0.916537 0.249923 1 Si Si115 1 0.083158 0.916457 0.583230 1 Si Si116 1 0.083126 0.916315 0.916416 1 Si Si117 1 0.419255 0.249804 0.252580 1 Si Si118 1 0.416849 0.250011 0.583404 1 Si Si119 1 0.419251 0.250207 0.914071 1 Si Si120 1 0.416553 0.583405 0.249974 1 Si Si121 1 0.416913 0.583495 0.583248 1 Si Si122 1 0.416929 0.583699 0.916425 1 Si Si123 1 0.416938 0.916352 0.250247 1 Si Si124 1 0.416926 0.916522 0.583378 1 Si Si125 1 0.416612 0.916556 0.916745 1 Si Si126 1 0.750053 0.249987 0.250196 1 Si Si127 1 0.750106 0.249930 0.583383 1 Si Si128 1 0.750043 0.249966 0.916461 1 Si Si129 1 0.749913 0.583470 0.250273 1 Si Si130 1 0.750059 0.583549 0.583279 1 Si Si131 1 0.750102 0.583524 0.916457 1 Si Si132 1 0.750130 0.916495 0.250226 1 Si Si133 1 0.750039 0.916469 0.583281 1 Si Si134 1 0.749889 0.916429 0.916457 1 Si Si135 1 0.166585 0.999972 0.166732 1 Si Si136 1 0.166540 0.999863 0.500299 1 Si Si137 1 0.166447 0.998217 0.831527 1 Si Si138 1 0.158100 0.341895 0.175226 1 Si Si139 1 0.166435 0.333567 0.500315 1 Si Si140 1 0.166599 0.333400 0.833323 1 Si Si141 1 0.166465 0.667055 0.166847 1 Si Si142 1 0.166435 0.667308 0.500689 1 Si Si143 1 0.166513 0.666963 0.833166 1 Si Si144 1 0.501819 0.998231 0.166897 1 Si Si145 1 0.500190 0.999869 0.500266 1 Si Si146 1 0.499790 0.000194 0.833516 1 Si Si147 1 0.500019 0.333387 0.166699 1 Si Si148 1 0.500166 0.333478 0.500310 1 Si Si149 1 0.501789 0.333576 0.831525 1 Si Si150 1 0.500138 0.666924 0.166860 1 Si Si151 1 0.500220 0.666694 0.500009 1 Si Si152 1 0.500189 0.666992 0.833107 1 Si Si153 1 0.833030 0.999858 0.166780 1 Si Si154 1 0.833345 0.999711 0.500024 1 Si Si155 1 0.832985 0.999798 0.833192 1 Si Si156 1 0.833015 0.333562 0.166891 1 Si Si157 1 0.832681 0.333578 0.500715 1 Si Si158 1 0.833056 0.333501 0.833153 1 Si Si159 1 0.832689 0.667278 0.166979 1 Si Si160 1 0.833288 0.666828 0.500033 1 Si Si161 1 0.833214 0.666790 0.833077 1 Si Si162 1 0.080741 0.080753 0.083130 1 Si Si163 1 0.083419 0.083373 0.416743 1 Si Si164 1 0.083075 0.083081 0.749652 1 Si Si165 1 0.080739 0.419245 0.083538 1 Si Si166 1 0.083072 0.416942 0.417018 1 Si Si167 1 0.083357 0.416583 0.749915 1 Si Si168 1 0.083136 0.750003 0.083260 1 Si Si169 1 0.083100 0.750036 0.416868 1 Si Si170 1 0.083119 0.749938 0.749804 1 Si Si171 1 0.419255 0.080756 0.083538 1 Si Si172 1 0.416863 0.083142 0.417033 1 Si Si173 1 0.416600 0.083384 0.749891 1 Si Si174 1 0.419239 0.419258 0.083121 1 Si Si175 1 0.416602 0.416603 0.416806 1 Si Si176 1 0.416883 0.416926 0.749663 1 Si Si177 1 0.416820 0.749996 0.083419 1 Si Si178 1 0.416902 0.749908 0.416808 1 Si Si179 1 0.416889 0.750129 0.749805 1 Si Si180 1 0.749940 0.083149 0.083286 1 Si Si181 1 0.750140 0.083089 0.416847 1 Si Si182 1 0.749895 0.083064 0.749835 1 Si Si183 1 0.749925 0.416829 0.083372 1 Si Si184 1 0.749869 0.416859 0.416891 1 Si Si185 1 0.750083 0.416926 0.749814 1 Si Si186 1 0.750000 0.749925 0.083441 1 Si Si187 1 0.749971 0.750076 0.416851 1 Si Si188 1 0.749892 0.750011 0.749789 1 Si Si189 1 0.158109 0.158103 0.991441 1 Si Si190 1 0.166621 0.166621 0.333372 1 Si Si191 1 0.166421 0.166471 0.666353 1 Si Si192 1 0.166601 0.500035 0.999957 1 Si Si193 1 0.166435 0.501796 0.335121 1 Si Si194 1 0.166488 0.500168 0.666423 1 Si Si195 1 0.166490 0.833000 0.999766 1 Si Si196 1 0.166474 0.833058 0.333531 1 Si Si197 1 0.166487 0.832629 0.665955 1 Si Si198 1 0.500024 0.166621 0.999946 1 Si Si199 1 0.501790 0.166433 0.335130 1 Si Si200 1 0.500192 0.166489 0.666381 1 Si Si201 1 0.501798 0.501777 0.999752 1 Si Si202 1 0.499784 0.499796 0.333159 1 Si Si203 1 0.500173 0.500130 0.666321 1 Si Si204 1 0.500131 0.833010 0.999874 1 Si Si205 1 0.500186 0.833001 0.333483 1 Si Si206 1 0.500243 0.833301 0.666581 1 Si Si207 1 0.833019 0.166428 0.999789 1 Si Si208 1 0.833104 0.166494 0.333506 1 Si Si209 1 0.832715 0.166346 0.666052 1 Si Si210 1 0.833012 0.500136 0.999892 1 Si Si211 1 0.832978 0.500115 0.333547 1 Si Si212 1 0.833296 0.500310 0.666639 1 Si Si213 1 0.832631 0.832618 0.999811 1 Si Si214 1 0.833306 0.833294 0.333598 1 Si Si215 1 0.833232 0.833260 0.666625 1 Pb Pb216 1 0.250000 0.250003 0.083331 1