# 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 0.250071 0.250026 0.417030 1 Si Si2 1 0.250003 0.249925 0.749614 1 Si Si3 1 0.250018 0.583660 0.083394 1 Si Si4 1 0.250089 0.584552 0.417781 1 Si Si5 1 0.249906 0.584559 0.748886 1 Si Si6 1 0.249944 0.916251 0.083333 1 Si Si7 1 0.249891 0.915569 0.417810 1 Si Si8 1 0.250062 0.915465 0.748854 1 Si Si9 1 0.583714 0.249942 0.083306 1 Si Si10 1 0.584485 0.250166 0.417897 1 Si Si11 1 0.584479 0.249899 0.748953 1 Si Si12 1 0.584600 0.584474 0.083462 1 Si Si13 1 0.583292 0.583374 0.416863 1 Si Si14 1 0.583303 0.583466 0.750063 1 Si Si15 1 0.584478 0.915474 0.083364 1 Si Si16 1 0.583292 0.916764 0.416737 1 Si Si17 1 0.583342 0.916763 0.750126 1 Si Si18 1 0.916363 0.249898 0.083411 1 Si Si19 1 0.915498 0.249934 0.417927 1 Si Si20 1 0.915580 0.250135 0.748847 1 Si Si21 1 0.915413 0.584404 0.083355 1 Si Si22 1 0.916635 0.583527 0.416713 1 Si Si23 1 0.916803 0.583237 0.750037 1 Si Si24 1 0.915550 0.915507 0.083455 1 Si Si25 1 0.916601 0.916802 0.416804 1 Si Si26 1 0.916545 0.916534 0.750097 1 Si Si27 1 0.998222 0.998114 0.999957 1 Si Si28 1 0.000047 0.000093 0.333441 1 Si Si29 1 0.999755 0.999778 0.666624 1 Si Si30 1 0.999878 0.333056 0.000202 1 Si Si31 1 0.998152 0.333393 0.335261 1 Si Si32 1 0.999973 0.333485 0.666594 1 Si Si33 1 0.999832 0.666660 0.000051 1 Si Si34 1 0.999843 0.666906 0.333464 1 Si Si35 1 0.999827 0.666634 0.666649 1 Si Si36 1 0.333149 0.999727 0.000133 1 Si Si37 1 0.333392 0.998206 0.335167 1 Si Si38 1 0.333329 0.999863 0.666567 1 Si Si39 1 0.341427 0.341407 0.991994 1 Si Si40 1 0.333199 0.333164 0.333446 1 Si Si41 1 0.333409 0.333433 0.666537 1 Si Si42 1 0.333462 0.666735 0.999955 1 Si Si43 1 0.333485 0.666818 0.333487 1 Si Si44 1 0.333448 0.667310 0.666115 1 Si Si45 1 0.666783 0.999827 0.000066 1 Si Si46 1 0.666800 0.999935 0.333559 1 Si Si47 1 0.666633 0.999988 0.666815 1 Si Si48 1 0.666843 0.333345 0.999872 1 Si Si49 1 0.666846 0.333470 0.333593 1 Si Si50 1 0.667116 0.333611 0.666244 1 Si Si51 1 0.667389 0.667176 0.999883 1 Si Si52 1 0.666590 0.666677 0.333604 1 Si Si53 1 0.666655 0.666777 0.666772 1 Si Si54 1 0.250211 0.080877 0.252502 1 Si Si55 1 0.250008 0.083166 0.583226 1 Si Si56 1 0.249792 0.080737 0.914133 1 Si Si57 1 0.249830 0.419179 0.252457 1 Si Si58 1 0.250051 0.416883 0.583334 1 Si Si59 1 0.250234 0.419171 0.914174 1 Si Si60 1 0.249997 0.750009 0.250191 1 Si Si61 1 0.249909 0.750061 0.583219 1 Si Si62 1 0.250074 0.749941 0.916552 1 Si Si63 1 0.583700 0.083180 0.250159 1 Si Si64 1 0.583337 0.083176 0.583526 1 Si Si65 1 0.583333 0.083282 0.916801 1 Si Si66 1 0.583385 0.416603 0.250090 1 Si Si67 1 0.583311 0.416944 0.583382 1 Si Si68 1 0.583719 0.416816 0.916463 1 Si Si69 1 0.583425 0.749967 0.250296 1 Si Si70 1 0.583401 0.750157 0.583427 1 Si Si71 1 0.583527 0.750031 0.916595 1 Si Si72 1 0.916714 0.083404 0.250107 1 Si Si73 1 0.916568 0.083194 0.583396 1 Si Si74 1 0.916427 0.083079 0.916470 1 Si Si75 1 0.916307 0.416832 0.250289 1 Si Si76 1 0.916674 0.416905 0.583384 1 Si Si77 1 0.916766 0.416499 0.916717 1 Si Si78 1 0.916534 0.750152 0.250234 1 Si Si79 1 0.916500 0.750057 0.583429 1 Si Si80 1 0.916606 0.749793 0.916518 1 Si Si81 1 0.999890 0.166780 0.166584 1 Si Si82 1 0.999899 0.166664 0.500251 1 Si Si83 1 0.998204 0.166577 0.831462 1 Si Si84 1 0.998118 0.501798 0.166805 1 Si Si85 1 0.999847 0.500206 0.500067 1 Si Si86 1 0.000136 0.499904 0.833448 1 Si Si87 1 0.999904 0.833251 0.166813 1 Si Si88 1 0.999765 0.833384 0.500049 1 Si Si89 1 0.999834 0.833058 0.833197 1 Si Si90 1 0.341390 0.158630 0.174670 1 Si Si91 1 0.333500 0.166575 0.500116 1 Si Si92 1 0.333149 0.166805 0.833186 1 Si Si93 1 0.333268 0.500181 0.166528 1 Si Si94 1 0.333427 0.500231 0.500111 1 Si Si95 1 0.333389 0.501886 0.831512 1 Si Si96 1 0.333412 0.833165 0.166757 1 Si Si97 1 0.333504 0.832844 0.500505 1 Si Si98 1 0.333443 0.833179 0.833176 1 Si Si99 1 0.666866 0.166593 0.166779 1 Si Si100 1 0.667115 0.166558 0.500705 1 Si Si101 1 0.666786 0.166563 0.833332 1 Si Si102 1 0.666831 0.500057 0.166804 1 Si Si103 1 0.666623 0.500203 0.500184 1 Si Si104 1 0.666837 0.500206 0.833203 1 Si Si105 1 0.667234 0.832835 0.167013 1 Si Si106 1 0.666643 0.833472 0.500069 1 Si Si107 1 0.666647 0.833390 0.833329 1 Si Si108 1 0.080833 0.250222 0.252574 1 Si Si109 1 0.083334 0.250076 0.583418 1 Si Si110 1 0.080883 0.249705 0.914169 1 Si Si111 1 0.083117 0.583640 0.250237 1 Si Si112 1 0.083112 0.583408 0.583375 1 Si Si113 1 0.083389 0.583273 0.916845 1 Si Si114 1 0.083344 0.916723 0.250107 1 Si Si115 1 0.083052 0.916564 0.583333 1 Si Si116 1 0.083149 0.916214 0.916494 1 Si Si117 1 0.419236 0.249787 0.252460 1 Si Si118 1 0.416819 0.249978 0.583415 1 Si Si119 1 0.419163 0.250178 0.914178 1 Si Si120 1 0.416726 0.583261 0.250096 1 Si Si121 1 0.416816 0.583541 0.583314 1 Si Si122 1 0.416898 0.583664 0.916506 1 Si Si123 1 0.416798 0.916340 0.250187 1 Si Si124 1 0.416806 0.916582 0.583446 1 Si Si125 1 0.416662 0.916509 0.916777 1 Si Si126 1 0.750013 0.250008 0.250240 1 Si Si127 1 0.749942 0.250072 0.583519 1 Si Si128 1 0.750142 0.249912 0.916597 1 Si Si129 1 0.749863 0.583409 0.250326 1 Si Si130 1 0.750011 0.583469 0.583498 1 Si Si131 1 0.750199 0.583318 0.916551 1 Si Si132 1 0.750088 0.916643 0.250320 1 Si Si133 1 0.749935 0.916775 0.583436 1 Si Si134 1 0.749937 0.916503 0.916651 1 Si Si135 1 0.166836 0.999790 0.166571 1 Si Si136 1 0.166512 0.999836 0.500128 1 Si Si137 1 0.166569 0.998077 0.831495 1 Si Si138 1 0.158608 0.341368 0.174729 1 Si Si139 1 0.166655 0.333484 0.500146 1 Si Si140 1 0.166903 0.333103 0.833201 1 Si Si141 1 0.166589 0.666739 0.166859 1 Si Si142 1 0.166385 0.667203 0.500500 1 Si Si143 1 0.166557 0.666754 0.833296 1 Si Si144 1 0.501816 0.998168 0.166766 1 Si Si145 1 0.500083 0.999883 0.500229 1 Si Si146 1 0.499907 0.000002 0.833475 1 Si Si147 1 0.500267 0.333173 0.166513 1 Si Si148 1 0.500082 0.333456 0.500180 1 Si Si149 1 0.501800 0.333412 0.831516 1 Si Si150 1 0.500216 0.666712 0.166853 1 Si Si151 1 0.500131 0.666765 0.500117 1 Si Si152 1 0.500151 0.666914 0.833249 1 Si Si153 1 0.833296 0.999862 0.166853 1 Si Si154 1 0.833302 0.000009 0.500103 1 Si Si155 1 0.833162 0.999772 0.833317 1 Si Si156 1 0.833270 0.333340 0.166858 1 Si Si157 1 0.832790 0.333550 0.500674 1 Si Si158 1 0.833239 0.333408 0.833191 1 Si Si159 1 0.832764 0.667177 0.167016 1 Si Si160 1 0.833250 0.666760 0.500066 1 Si Si161 1 0.833409 0.666538 0.833224 1 Si Si162 1 0.080886 0.080781 0.083166 1 Si Si163 1 0.083382 0.083471 0.416757 1 Si Si164 1 0.083149 0.083079 0.749653 1 Si Si165 1 0.080780 0.419144 0.083578 1 Si Si166 1 0.083203 0.416863 0.417005 1 Si Si167 1 0.083503 0.416619 0.750091 1 Si Si168 1 0.083199 0.749893 0.083441 1 Si Si169 1 0.083071 0.750147 0.416792 1 Si Si170 1 0.083130 0.749833 0.749887 1 Si Si171 1 0.419132 0.080759 0.083512 1 Si Si172 1 0.416905 0.083185 0.416958 1 Si Si173 1 0.416537 0.083281 0.750090 1 Si Si174 1 0.419286 0.419198 0.083121 1 Si Si175 1 0.416550 0.416605 0.416708 1 Si Si176 1 0.416784 0.416863 0.749683 1 Si Si177 1 0.416828 0.749877 0.083448 1 Si Si178 1 0.416898 0.749986 0.416812 1 Si Si179 1 0.416902 0.750110 0.749853 1 Si Si180 1 0.750085 0.083166 0.083421 1 Si Si181 1 0.749970 0.083251 0.416912 1 Si Si182 1 0.749979 0.083146 0.750060 1 Si Si183 1 0.750027 0.416604 0.083429 1 Si Si184 1 0.749936 0.416937 0.416951 1 Si Si185 1 0.750094 0.416927 0.749924 1 Si Si186 1 0.750063 0.750043 0.083499 1 Si Si187 1 0.749933 0.750126 0.416790 1 Si Si188 1 0.749973 0.750006 0.750155 1 Si Si189 1 0.158699 0.158567 0.991982 1 Si Si190 1 0.166856 0.166864 0.333554 1 Si Si191 1 0.166608 0.166480 0.666513 1 Si Si192 1 0.166854 0.500104 0.000245 1 Si Si193 1 0.166640 0.501837 0.335165 1 Si Si194 1 0.166608 0.500182 0.666582 1 Si Si195 1 0.166555 0.833079 0.999929 1 Si Si196 1 0.166571 0.833244 0.333516 1 Si Si197 1 0.166422 0.832769 0.666135 1 Si Si198 1 0.500153 0.166774 0.000176 1 Si Si199 1 0.501917 0.166657 0.335171 1 Si Si200 1 0.500063 0.166567 0.666705 1 Si Si201 1 0.501955 0.501864 0.999929 1 Si Si202 1 0.500008 0.499923 0.333453 1 Si Si203 1 0.500056 0.500263 0.666614 1 Si Si204 1 0.500170 0.833127 0.000044 1 Si Si205 1 0.500127 0.833256 0.333520 1 Si Si206 1 0.500153 0.833472 0.666737 1 Si Si207 1 0.833318 0.166456 0.999940 1 Si Si208 1 0.833209 0.166594 0.333587 1 Si Si209 1 0.832797 0.166512 0.666252 1 Si Si210 1 0.833277 0.499936 0.999987 1 Si Si211 1 0.833177 0.500191 0.333603 1 Si Si212 1 0.833439 0.500134 0.666690 1 Si Si213 1 0.832882 0.832720 0.999878 1 Si Si214 1 0.833355 0.833425 0.333572 1 Si Si215 1 0.833183 0.833343 0.666741 1 Pb Pb216 1 0.250001 0.250033 0.083330 1