# generated using pymatgen data_Si216Sb _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 Si216Sb _chemical_formula_sum 'Si216 Sb1' _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 0.267046 0.254933 0.078415 1 Si Si2 1 0.250953 0.250226 0.418798 1 Si Si3 1 0.250311 0.249951 0.749201 1 Si Si4 1 0.250307 0.584113 0.083367 1 Si Si5 1 0.250563 0.584620 0.418200 1 Si Si6 1 0.250110 0.584392 0.748897 1 Si Si7 1 0.250956 0.914489 0.083055 1 Si Si8 1 0.250173 0.917514 0.415835 1 Si Si9 1 0.250591 0.915095 0.748692 1 Si Si10 1 0.583758 0.250077 0.083177 1 Si Si11 1 0.583628 0.250009 0.417297 1 Si Si12 1 0.583963 0.249896 0.749171 1 Si Si13 1 0.583945 0.584108 0.083371 1 Si Si14 1 0.583476 0.583579 0.416934 1 Si Si15 1 0.583676 0.583214 0.750058 1 Si Si16 1 0.583594 0.916010 0.083321 1 Si Si17 1 0.582984 0.916559 0.416713 1 Si Si18 1 0.583444 0.916317 0.749703 1 Si Si19 1 0.912446 0.250033 0.083262 1 Si Si20 1 0.914387 0.249580 0.419371 1 Si Si21 1 0.915768 0.250197 0.749265 1 Si Si22 1 0.915767 0.584022 0.083085 1 Si Si23 1 0.916401 0.583746 0.416818 1 Si Si24 1 0.916793 0.582532 0.750796 1 Si Si25 1 0.914376 0.913931 0.083705 1 Si Si26 1 0.916408 0.915092 0.418189 1 Si Si27 1 0.916358 0.916465 0.749572 1 Si Si28 1 0.992526 0.993078 0.992489 1 Si Si29 1 0.000952 0.997356 0.335957 1 Si Si30 1 0.999859 0.999618 0.666353 1 Si Si31 1 0.003236 0.330089 0.003208 1 Si Si32 1 0.992528 0.340790 0.340209 1 Si Si33 1 0.999747 0.333583 0.666656 1 Si Si34 1 0.999747 0.666657 0.999717 1 Si Si35 1 0.999877 0.666978 0.333658 1 Si Si36 1 0.999663 0.666007 0.667294 1 Si Si37 1 0.335995 0.997321 0.000883 1 Si Si38 1 0.331241 0.002109 0.331219 1 Si Si39 1 0.333596 0.999743 0.666336 1 Si Si40 1 0.340231 0.340788 0.992499 1 Si Si41 1 0.335989 0.332401 0.335957 1 Si Si42 1 0.333692 0.333466 0.666329 1 Si Si43 1 0.333701 0.666943 0.999821 1 Si Si44 1 0.333578 0.666959 0.333550 1 Si Si45 1 0.333525 0.667418 0.665864 1 Si Si46 1 0.666364 0.999630 0.999852 1 Si Si47 1 0.666376 0.999747 0.333545 1 Si Si48 1 0.665904 0.999811 0.665850 1 Si Si49 1 0.666665 0.333558 0.999705 1 Si Si50 1 0.666367 0.333480 0.333661 1 Si Si51 1 0.667331 0.333656 0.667281 1 Si Si52 1 0.667304 0.665994 0.999615 1 Si Si53 1 0.665913 0.667423 0.333428 1 Si Si54 1 0.666684 0.666639 0.666635 1 Si Si55 1 0.246738 0.086600 0.246712 1 Si Si56 1 0.250309 0.083052 0.583360 1 Si Si57 1 0.257586 0.075731 0.909660 1 Si Si58 1 0.257572 0.423624 0.257551 1 Si Si59 1 0.250156 0.417051 0.583631 1 Si Si60 1 0.249134 0.419294 0.914029 1 Si Si61 1 0.250279 0.749959 0.250277 1 Si Si62 1 0.250354 0.750631 0.582684 1 Si Si63 1 0.250164 0.749650 0.916247 1 Si Si64 1 0.583378 0.083036 0.250257 1 Si Si65 1 0.582705 0.082981 0.582660 1 Si Si66 1 0.583679 0.083153 0.916251 1 Si Si67 1 0.583685 0.417041 0.250083 1 Si Si68 1 0.584141 0.416779 0.584069 1 Si Si69 1 0.583677 0.416863 0.916408 1 Si Si70 1 0.582679 0.750616 0.250315 1 Si Si71 1 0.583440 0.749883 0.583326 1 Si Si72 1 0.584080 0.749196 0.916520 1 Si Si73 1 0.909710 0.075745 0.257551 1 Si Si74 1 0.916291 0.083151 0.583641 1 Si Si75 1 0.914048 0.084189 0.914009 1 Si Si76 1 0.914035 0.419275 0.249112 1 Si Si77 1 0.916460 0.416880 0.583655 1 Si Si78 1 0.918728 0.414593 0.918692 1 Si Si79 1 0.916297 0.749653 0.250089 1 Si Si80 1 0.916554 0.749232 0.584101 1 Si Si81 1 0.916430 0.749647 0.916439 1 Si Si82 1 0.982757 0.161642 0.171664 1 Si Si83 1 0.999710 0.166703 0.500831 1 Si Si84 1 0.999011 0.166398 0.831137 1 Si Si85 1 0.998988 0.502149 0.166902 1 Si Si86 1 0.999463 0.501527 0.501278 1 Si Si87 1 0.999850 0.499177 0.834138 1 Si Si88 1 0.999717 0.832491 0.166573 1 Si Si89 1 0.999937 0.832279 0.501052 1 Si Si90 1 0.999426 0.832009 0.831778 1 Si Si91 1 0.337478 0.166616 0.166688 1 Si Si92 1 0.334226 0.166434 0.500664 1 Si Si93 1 0.335683 0.167060 0.830609 1 Si Si94 1 0.335678 0.502683 0.166234 1 Si Si95 1 0.333644 0.500169 0.500378 1 Si Si96 1 0.333638 0.501546 0.831736 1 Si Si97 1 0.334204 0.832613 0.166870 1 Si Si98 1 0.333223 0.834128 0.499200 1 Si Si99 1 0.333657 0.832893 0.833126 1 Si Si100 1 0.666348 0.166513 0.166782 1 Si Si101 1 0.666066 0.166733 0.500760 1 Si Si102 1 0.666404 0.166632 0.832627 1 Si Si103 1 0.666412 0.500653 0.166613 1 Si Si104 1 0.666634 0.500281 0.500269 1 Si Si105 1 0.667046 0.500023 0.833256 1 Si Si106 1 0.666033 0.832537 0.166576 1 Si Si107 1 0.666416 0.833356 0.499899 1 Si Si108 1 0.666575 0.833015 0.833050 1 Si Si109 1 0.078400 0.254932 0.266988 1 Si Si110 1 0.083221 0.250109 0.583739 1 Si Si111 1 0.083290 0.250043 0.912401 1 Si Si112 1 0.083380 0.584107 0.250264 1 Si Si113 1 0.083425 0.584128 0.583927 1 Si Si114 1 0.083144 0.584042 0.915750 1 Si Si115 1 0.083105 0.914508 0.250899 1 Si Si116 1 0.083346 0.916015 0.583595 1 Si Si117 1 0.083745 0.913922 0.914345 1 Si Si118 1 0.418839 0.250240 0.250904 1 Si Si119 1 0.417324 0.249994 0.583581 1 Si Si120 1 0.419398 0.249570 0.914366 1 Si Si121 1 0.418233 0.584592 0.250558 1 Si Si122 1 0.417014 0.583576 0.583392 1 Si Si123 1 0.416863 0.583729 0.916327 1 Si Si124 1 0.415832 0.917472 0.250166 1 Si Si125 1 0.416772 0.916580 0.582921 1 Si Si126 1 0.418251 0.915067 0.916360 1 Si Si127 1 0.749222 0.249937 0.250293 1 Si Si128 1 0.749221 0.249906 0.583912 1 Si Si129 1 0.749297 0.250189 0.915732 1 Si Si130 1 0.748954 0.584383 0.250033 1 Si Si131 1 0.750160 0.583228 0.583647 1 Si Si132 1 0.750786 0.582508 0.916745 1 Si Si133 1 0.748724 0.915091 0.250543 1 Si Si134 1 0.749757 0.916310 0.583410 1 Si Si135 1 0.749566 0.916468 0.916344 1 Si Si136 1 0.166728 0.995859 0.166671 1 Si Si137 1 0.166888 0.999144 0.500695 1 Si Si138 1 0.166260 0.997644 0.830600 1 Si Si139 1 0.171654 0.350577 0.171687 1 Si Si140 1 0.166628 0.333613 0.500821 1 Si Si141 1 0.166935 0.334333 0.831149 1 Si Si142 1 0.166803 0.667006 0.166781 1 Si Si143 1 0.166594 0.667291 0.500770 1 Si Si144 1 0.166685 0.666933 0.832627 1 Si Si145 1 0.500683 0.999113 0.166878 1 Si Si146 1 0.499244 0.000093 0.499173 1 Si Si147 1 0.500433 0.999657 0.833137 1 Si Si148 1 0.500852 0.333609 0.166565 1 Si Si149 1 0.501073 0.333400 0.501041 1 Si Si150 1 0.501311 0.333862 0.831758 1 Si Si151 1 0.500784 0.667248 0.166562 1 Si Si152 1 0.499959 0.666932 0.499885 1 Si Si153 1 0.500287 0.666716 0.833016 1 Si Si154 1 0.830638 0.997651 0.166232 1 Si Si155 1 0.833178 0.999660 0.500390 1 Si Si156 1 0.831756 0.999692 0.831748 1 Si Si157 1 0.831172 0.334300 0.166904 1 Si Si158 1 0.831804 0.333889 0.501278 1 Si Si159 1 0.834143 0.333500 0.834111 1 Si Si160 1 0.832663 0.666939 0.166616 1 Si Si161 1 0.833105 0.666731 0.500265 1 Si Si162 1 0.833292 0.666265 0.833281 1 Si Si163 1 0.078403 0.066275 0.078386 1 Si Si164 1 0.083111 0.082404 0.418803 1 Si Si165 1 0.083388 0.083022 0.749189 1 Si Si166 1 0.083276 0.420886 0.083270 1 Si Si167 1 0.083749 0.418931 0.419361 1 Si Si168 1 0.083139 0.417558 0.749270 1 Si Si169 1 0.083224 0.749584 0.083170 1 Si Si170 1 0.083337 0.749737 0.417301 1 Si Si171 1 0.083410 0.749374 0.749184 1 Si Si172 1 0.418816 0.082364 0.083063 1 Si Si173 1 0.415883 0.083159 0.415808 1 Si Si174 1 0.418243 0.082739 0.748702 1 Si Si175 1 0.419389 0.418938 0.083702 1 Si Si176 1 0.418241 0.416939 0.418203 1 Si Si177 1 0.416857 0.416944 0.749545 1 Si Si178 1 0.417308 0.749697 0.083316 1 Si Si179 1 0.416732 0.750378 0.416728 1 Si Si180 1 0.417010 0.749897 0.749693 1 Si Si181 1 0.749233 0.083030 0.083353 1 Si Si182 1 0.748726 0.082728 0.418212 1 Si Si183 1 0.748942 0.083220 0.748883 1 Si Si184 1 0.749302 0.417524 0.083083 1 Si Si185 1 0.749592 0.416960 0.416827 1 Si Si186 1 0.750803 0.416558 0.750754 1 Si Si187 1 0.749168 0.749372 0.083379 1 Si Si188 1 0.749768 0.749858 0.416942 1 Si Si189 1 0.750081 0.749635 0.750098 1 Si Si190 1 0.171686 0.161632 0.982701 1 Si Si191 1 0.166705 0.166640 0.337431 1 Si Si192 1 0.166815 0.166531 0.666318 1 Si Si193 1 0.166924 0.502161 0.998999 1 Si Si194 1 0.166254 0.502695 0.335647 1 Si Si195 1 0.166687 0.500668 0.666363 1 Si Si196 1 0.166633 0.832478 0.999662 1 Si Si197 1 0.166888 0.832650 0.334190 1 Si Si198 1 0.166597 0.832532 0.666044 1 Si Si199 1 0.500847 0.166672 0.999677 1 Si Si200 1 0.500730 0.166462 0.334174 1 Si Si201 1 0.500790 0.166726 0.666023 1 Si Si202 1 0.501302 0.501523 0.999404 1 Si Si203 1 0.500438 0.500143 0.333605 1 Si Si204 1 0.500308 0.500245 0.666558 1 Si Si205 1 0.501064 0.832239 0.999926 1 Si Si206 1 0.499214 0.834107 0.333216 1 Si Si207 1 0.499983 0.833355 0.666326 1 Si Si208 1 0.831182 0.166402 0.998967 1 Si Si209 1 0.830639 0.167052 0.335662 1 Si Si210 1 0.832676 0.166646 0.666355 1 Si Si211 1 0.834148 0.499162 0.999796 1 Si Si212 1 0.831776 0.501563 0.333609 1 Si Si213 1 0.833327 0.500037 0.667042 1 Si Si214 1 0.831767 0.832021 0.999424 1 Si Si215 1 0.833187 0.832895 0.333598 1 Si Si216 1 0.833049 0.833020 0.666605 1 Sb Sb217 1 0.124591 0.208715 0.124525 1