# 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 0.251533 0.251109 0.082270 1 Si Si2 1 0.256124 0.251984 0.421738 1 Si Si3 1 0.250121 0.249928 0.749603 1 Si Si4 1 0.250650 0.583283 0.083255 1 Si Si5 1 0.250273 0.583978 0.416405 1 Si Si6 1 0.250353 0.583324 0.749976 1 Si Si7 1 0.249701 0.916543 0.083103 1 Si Si8 1 0.250545 0.916972 0.415806 1 Si Si9 1 0.250116 0.916694 0.749333 1 Si Si10 1 0.582795 0.249790 0.082493 1 Si Si11 1 0.583266 0.249993 0.416364 1 Si Si12 1 0.583729 0.249991 0.749201 1 Si Si13 1 0.583338 0.583267 0.082861 1 Si Si14 1 0.583977 0.583661 0.416364 1 Si Si15 1 0.583362 0.583137 0.749558 1 Si Si16 1 0.582691 0.916196 0.082557 1 Si Si17 1 0.583326 0.916476 0.415952 1 Si Si18 1 0.583148 0.916606 0.749238 1 Si Si19 1 0.909190 0.251367 0.077133 1 Si Si20 1 0.915245 0.249033 0.416820 1 Si Si21 1 0.916654 0.249846 0.749305 1 Si Si22 1 0.916370 0.583030 0.083006 1 Si Si23 1 0.916526 0.583654 0.416340 1 Si Si24 1 0.916978 0.582880 0.749608 1 Si Si25 1 0.915063 0.914578 0.082038 1 Si Si26 1 0.916820 0.917357 0.415379 1 Si Si27 1 0.916589 0.916233 0.748639 1 Si Si28 1 0.996436 0.992058 0.991619 1 Si Si29 1 0.000574 0.000573 0.331482 1 Si Si30 1 0.000039 0.000005 0.665634 1 Si Si31 1 0.000609 0.331979 0.000009 1 Si Si32 1 0.994580 0.339600 0.339164 1 Si Si33 1 0.000106 0.333412 0.666111 1 Si Si34 1 0.000008 0.666064 0.999584 1 Si Si35 1 0.000142 0.666599 0.332868 1 Si Si36 1 0.999972 0.667175 0.666690 1 Si Si37 1 0.332884 0.000002 0.999549 1 Si Si38 1 0.336028 0.998554 0.333228 1 Si Si39 1 0.333375 0.000000 0.666062 1 Si Si40 1 0.335867 0.333530 0.998296 1 Si Si41 1 0.335867 0.334201 0.333682 1 Si Si42 1 0.333766 0.333436 0.666656 1 Si Si43 1 0.333375 0.666478 0.999544 1 Si Si44 1 0.333676 0.667138 0.332928 1 Si Si45 1 0.333278 0.666659 0.666245 1 Si Si46 1 0.665873 0.999299 0.998851 1 Si Si47 1 0.666404 0.999494 0.332400 1 Si Si48 1 0.666496 0.999690 0.665511 1 Si Si49 1 0.666376 0.332851 0.999041 1 Si Si50 1 0.666311 0.333532 0.332992 1 Si Si51 1 0.667066 0.333207 0.666380 1 Si Si52 1 0.666400 0.665971 0.999209 1 Si Si53 1 0.667106 0.666803 0.332817 1 Si Si54 1 0.666587 0.666512 0.666041 1 Si Si55 1 0.251707 0.082443 0.250849 1 Si Si56 1 0.250655 0.083735 0.582858 1 Si Si57 1 0.249703 0.083585 0.916100 1 Si Si58 1 0.256194 0.422250 0.251432 1 Si Si59 1 0.250345 0.416929 0.583541 1 Si Si60 1 0.250489 0.416146 0.916643 1 Si Si61 1 0.250050 0.750122 0.249404 1 Si Si62 1 0.250313 0.750341 0.582895 1 Si Si63 1 0.250134 0.749783 0.916252 1 Si Si64 1 0.582807 0.082924 0.249327 1 Si Si65 1 0.583436 0.083357 0.582797 1 Si Si66 1 0.582669 0.083028 0.915794 1 Si Si67 1 0.583235 0.416935 0.249487 1 Si Si68 1 0.583977 0.416781 0.583239 1 Si Si69 1 0.583315 0.416397 0.916001 1 Si Si70 1 0.583787 0.749592 0.249563 1 Si Si71 1 0.583370 0.750048 0.582660 1 Si Si72 1 0.583092 0.749693 0.916089 1 Si Si73 1 0.909132 0.077644 0.250816 1 Si Si74 1 0.916370 0.083459 0.582644 1 Si Si75 1 0.915090 0.082527 0.914161 1 Si Si76 1 0.915172 0.417238 0.248648 1 Si Si77 1 0.916534 0.416920 0.583075 1 Si Si78 1 0.916849 0.415879 0.916824 1 Si Si79 1 0.916651 0.749781 0.249350 1 Si Si80 1 0.916968 0.750125 0.582420 1 Si Si81 1 0.916559 0.749042 0.915773 1 Si Si82 1 0.974358 0.146467 0.145958 1 Si Si83 1 0.999860 0.167279 0.500002 1 Si Si84 1 0.999809 0.166233 0.832533 1 Si Si85 1 0.999802 0.500339 0.166871 1 Si Si86 1 0.999464 0.504268 0.503704 1 Si Si87 1 0.000184 0.499438 0.833336 1 Si Si88 1 0.999806 0.833009 0.165779 1 Si Si89 1 0.000133 0.833847 0.498948 1 Si Si90 1 0.999543 0.831050 0.830648 1 Si Si91 1 0.333836 0.166917 0.166629 1 Si Si92 1 0.337979 0.166408 0.503339 1 Si Si93 1 0.333514 0.166500 0.832763 1 Si Si94 1 0.338027 0.503804 0.165904 1 Si Si95 1 0.333463 0.500191 0.499700 1 Si Si96 1 0.333387 0.499800 0.833254 1 Si Si97 1 0.333532 0.833210 0.166020 1 Si Si98 1 0.333433 0.833612 0.499481 1 Si Si99 1 0.333078 0.833247 0.832797 1 Si Si100 1 0.665895 0.166196 0.165740 1 Si Si101 1 0.666680 0.166722 0.499664 1 Si Si102 1 0.665442 0.166006 0.831562 1 Si Si103 1 0.666645 0.500175 0.166196 1 Si Si104 1 0.667137 0.500082 0.499670 1 Si Si105 1 0.666685 0.499535 0.832805 1 Si Si106 1 0.665463 0.831948 0.165553 1 Si Si107 1 0.666694 0.833297 0.499086 1 Si Si108 1 0.666341 0.832940 0.832474 1 Si Si109 1 0.126536 0.307105 0.306562 1 Si Si110 1 0.083724 0.250418 0.582815 1 Si Si111 1 0.083337 0.249075 0.916128 1 Si Si112 1 0.083732 0.583152 0.249961 1 Si Si113 1 0.084061 0.585462 0.584950 1 Si Si114 1 0.083751 0.582582 0.916787 1 Si Si115 1 0.083306 0.916659 0.248615 1 Si Si116 1 0.083754 0.917142 0.582183 1 Si Si117 1 0.083762 0.912523 0.912132 1 Si Si118 1 0.417436 0.250034 0.249622 1 Si Si119 1 0.419166 0.250375 0.585304 1 Si Si120 1 0.417631 0.249906 0.915094 1 Si Si121 1 0.419119 0.585798 0.249899 1 Si Si122 1 0.416750 0.583385 0.582914 1 Si Si123 1 0.416730 0.583013 0.916477 1 Si Si124 1 0.417718 0.915425 0.249491 1 Si Si125 1 0.416759 0.916932 0.582641 1 Si Si126 1 0.416117 0.916682 0.916205 1 Si Si127 1 0.748504 0.249755 0.249231 1 Si Si128 1 0.749915 0.250095 0.582932 1 Si Si129 1 0.747591 0.249639 0.913614 1 Si Si130 1 0.749892 0.583438 0.249575 1 Si Si131 1 0.750386 0.583392 0.582906 1 Si Si132 1 0.749955 0.582732 0.916096 1 Si Si133 1 0.747583 0.914031 0.249180 1 Si Si134 1 0.750016 0.916585 0.582226 1 Si Si135 1 0.749653 0.916175 0.915724 1 Si Si136 1 0.165337 0.000679 0.165487 1 Si Si137 1 0.167019 0.000871 0.498758 1 Si Si138 1 0.166666 0.999761 0.832460 1 Si Si139 1 0.173553 0.342232 0.166341 1 Si Si140 1 0.166482 0.334600 0.499884 1 Si Si141 1 0.166733 0.333012 0.833308 1 Si Si142 1 0.166748 0.666392 0.166338 1 Si Si143 1 0.166950 0.667344 0.499727 1 Si Si144 1 0.166765 0.666352 0.833160 1 Si Si145 1 0.499472 0.999649 0.165863 1 Si Si146 1 0.500465 0.999894 0.499506 1 Si Si147 1 0.499443 0.999682 0.832613 1 Si Si148 1 0.499986 0.333478 0.166140 1 Si Si149 1 0.500667 0.333586 0.500245 1 Si Si150 1 0.500566 0.333120 0.832265 1 Si Si151 1 0.501118 0.667658 0.166042 1 Si Si152 1 0.499999 0.666697 0.499476 1 Si Si153 1 0.499787 0.666381 0.832828 1 Si Si154 1 0.829009 0.995969 0.165179 1 Si Si155 1 0.833223 0.000153 0.499022 1 Si Si156 1 0.832246 0.999336 0.831374 1 Si Si157 1 0.831255 0.333259 0.166280 1 Si Si158 1 0.832891 0.333237 0.499758 1 Si Si159 1 0.833295 0.333023 0.832844 1 Si Si160 1 0.833067 0.666522 0.166098 1 Si Si161 1 0.833294 0.666894 0.499302 1 Si Si162 1 0.833142 0.665954 0.832573 1 Si Si163 1 0.079261 0.073139 0.072691 1 Si Si164 1 0.082164 0.084234 0.416396 1 Si Si165 1 0.083336 0.083202 0.749210 1 Si Si166 1 0.082146 0.416662 0.083931 1 Si Si167 1 0.081373 0.421373 0.420969 1 Si Si168 1 0.083544 0.416378 0.749723 1 Si Si169 1 0.083316 0.749601 0.082796 1 Si Si170 1 0.083476 0.750265 0.415883 1 Si Si171 1 0.083688 0.749231 0.748842 1 Si Si172 1 0.416119 0.083427 0.083045 1 Si Si173 1 0.417609 0.083058 0.416804 1 Si Si174 1 0.416639 0.083393 0.749387 1 Si Si175 1 0.417593 0.417182 0.082604 1 Si Si176 1 0.417978 0.417354 0.416882 1 Si Si177 1 0.416853 0.416626 0.749817 1 Si Si178 1 0.416654 0.749849 0.082891 1 Si Si179 1 0.416791 0.750247 0.416169 1 Si Si180 1 0.416601 0.749961 0.749498 1 Si Si181 1 0.748659 0.082619 0.082190 1 Si Si182 1 0.749174 0.083059 0.416066 1 Si Si183 1 0.749260 0.083051 0.748618 1 Si Si184 1 0.749158 0.416581 0.082529 1 Si Si185 1 0.750046 0.416553 0.416069 1 Si Si186 1 0.750170 0.416465 0.749672 1 Si Si187 1 0.749235 0.749015 0.082557 1 Si Si188 1 0.750176 0.750184 0.416026 1 Si Si189 1 0.750031 0.749762 0.749250 1 Si Si190 1 0.165312 0.165935 0.000224 1 Si Si191 1 0.173643 0.166491 0.341987 1 Si Si192 1 0.166769 0.166782 0.666014 1 Si Si193 1 0.166962 0.499071 0.000538 1 Si Si194 1 0.166472 0.500219 0.334133 1 Si Si195 1 0.166985 0.500267 0.666841 1 Si Si196 1 0.166669 0.832840 0.999377 1 Si Si197 1 0.166710 0.833815 0.332529 1 Si Si198 1 0.166771 0.833514 0.665952 1 Si Si199 1 0.499436 0.166292 0.999275 1 Si Si200 1 0.499994 0.166546 0.333048 1 Si Si201 1 0.501133 0.166471 0.667180 1 Si Si202 1 0.500422 0.499891 0.999434 1 Si Si203 1 0.500630 0.500759 0.333123 1 Si Si204 1 0.500001 0.499930 0.666249 1 Si Si205 1 0.499432 0.833076 0.999184 1 Si Si206 1 0.500630 0.832623 0.332710 1 Si Si207 1 0.499842 0.833289 0.665981 1 Si Si208 1 0.829024 0.165652 0.995578 1 Si Si209 1 0.831257 0.166819 0.332745 1 Si Si210 1 0.833046 0.166586 0.666080 1 Si Si211 1 0.833221 0.499517 0.999612 1 Si Si212 1 0.832832 0.500281 0.332758 1 Si Si213 1 0.833281 0.499764 0.666387 1 Si Si214 1 0.832222 0.831779 0.998863 1 Si Si215 1 0.833309 0.833302 0.332568 1 Si Si216 1 0.833179 0.833101 0.665502 1 Sb Sb217 1 0.110061 0.192298 0.192602 1