# generated using pymatgen data_Si216C _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 Si216C _chemical_formula_sum 'Si216 C1' _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 0.251575 0.249907 0.083448 1 Si Si2 1 0.252259 0.250149 0.418259 1 Si Si3 1 0.251601 0.249669 0.749096 1 Si Si4 1 0.251615 0.584255 0.083666 1 Si Si5 1 0.250091 0.583494 0.416720 1 Si Si6 1 0.250012 0.583335 0.749998 1 Si Si7 1 0.252256 0.915077 0.083181 1 Si Si8 1 0.249998 0.916668 0.416665 1 Si Si9 1 0.250070 0.916624 0.749870 1 Si Si10 1 0.582697 0.249909 0.083440 1 Si Si11 1 0.581489 0.249975 0.419255 1 Si Si12 1 0.582422 0.249968 0.748255 1 Si Si13 1 0.582420 0.585077 0.083352 1 Si Si14 1 0.584554 0.583742 0.416857 1 Si Si15 1 0.584224 0.583289 0.750014 1 Si Si16 1 0.581499 0.914105 0.083366 1 Si Si17 1 0.584877 0.917108 0.416225 1 Si Si18 1 0.584537 0.916475 0.749595 1 Si Si19 1 0.873909 0.225921 0.107418 1 Si Si20 1 0.917247 0.250185 0.415766 1 Si Si21 1 0.917115 0.249903 0.751006 1 Si Si22 1 0.917125 0.582344 0.083450 1 Si Si23 1 0.916646 0.583015 0.416394 1 Si Si24 1 0.918093 0.580145 0.753188 1 Si Si25 1 0.917236 0.917575 0.083152 1 Si Si26 1 0.919118 0.919866 0.413465 1 Si Si27 1 0.916631 0.916924 0.750281 1 Si Si28 1 0.000917 0.001669 0.000888 1 Si Si29 1 0.998104 0.006949 0.326386 1 Si Si30 1 0.000098 0.000170 0.666669 1 Si Si31 1 0.010742 0.323884 0.009470 1 Si Si32 1 0.000923 0.332456 0.331669 1 Si Si33 1 0.000207 0.333241 0.667100 1 Si Si34 1 0.000201 0.666250 0.000101 1 Si Si35 1 0.000100 0.666665 0.333173 1 Si Si36 1 0.999939 0.665217 0.668119 1 Si Si37 1 0.335063 0.999119 0.999787 1 Si Si38 1 0.334493 0.999448 0.333888 1 Si Si39 1 0.333519 0.999912 0.666215 1 Si Si40 1 0.334538 0.333361 0.999973 1 Si Si41 1 0.335054 0.333559 0.334218 1 Si Si42 1 0.333769 0.333253 0.666203 1 Si Si43 1 0.333771 0.667147 0.000082 1 Si Si44 1 0.333529 0.667151 0.333414 1 Si Si45 1 0.333681 0.666605 0.666731 1 Si Si46 1 0.662319 0.996476 0.999076 1 Si Si47 1 0.668138 0.000772 0.332572 1 Si Si48 1 0.668181 0.999999 0.666384 1 Si Si49 1 0.664656 0.333811 0.999525 1 Si Si50 1 0.662307 0.334263 0.336876 1 Si Si51 1 0.668060 0.333154 0.667101 1 Si Si52 1 0.668063 0.666238 0.000169 1 Si Si53 1 0.668190 0.666964 0.333333 1 Si Si54 1 0.667391 0.666743 0.666584 1 Si Si55 1 0.252021 0.082911 0.250425 1 Si Si56 1 0.249991 0.083328 0.583317 1 Si Si57 1 0.253232 0.082625 0.915320 1 Si Si58 1 0.253241 0.418034 0.250707 1 Si Si59 1 0.249989 0.416666 0.583338 1 Si Si60 1 0.251541 0.416890 0.916448 1 Si Si61 1 0.249990 0.750025 0.250009 1 Si Si62 1 0.250526 0.750086 0.583252 1 Si Si63 1 0.249990 0.749996 0.916666 1 Si Si64 1 0.583336 0.083339 0.249991 1 Si Si65 1 0.585346 0.083365 0.582503 1 Si Si66 1 0.582479 0.082668 0.915690 1 Si Si67 1 0.582474 0.417660 0.250672 1 Si Si68 1 0.584695 0.416700 0.583782 1 Si Si69 1 0.582642 0.417293 0.916041 1 Si Si70 1 0.585354 0.750827 0.249945 1 Si Si71 1 0.584300 0.750224 0.583084 1 Si Si72 1 0.584693 0.749562 0.916626 1 Si Si73 1 0.917892 0.099039 0.234303 1 Si Si74 1 0.917313 0.083695 0.582544 1 Si Si75 1 0.916477 0.085442 0.918339 1 Si Si76 1 0.916483 0.415001 0.247884 1 Si Si77 1 0.917108 0.416702 0.583256 1 Si Si78 1 0.919892 0.407586 0.925758 1 Si Si79 1 0.917320 0.750783 0.249633 1 Si Si80 1 0.917754 0.749835 0.583489 1 Si Si81 1 0.917114 0.750083 0.916626 1 Si Si82 1 0.018948 0.175646 0.157700 1 Si Si83 1 0.000687 0.166882 0.498917 1 Si Si84 1 0.000811 0.167561 0.834777 1 Si Si85 1 0.000837 0.498579 0.165801 1 Si Si86 1 0.000375 0.499881 0.499645 1 Si Si87 1 0.000097 0.494535 0.838815 1 Si Si88 1 0.000687 0.834423 0.166451 1 Si Si89 1 0.999843 0.834574 0.498764 1 Si Si90 1 0.000367 0.833701 0.833437 1 Si Si91 1 0.334685 0.166582 0.166777 1 Si Si92 1 0.334507 0.166588 0.500960 1 Si Si93 1 0.335468 0.166412 0.831918 1 Si Si94 1 0.335490 0.501443 0.166925 1 Si Si95 1 0.333429 0.500141 0.500201 1 Si Si96 1 0.333993 0.500291 0.833053 1 Si Si97 1 0.334503 0.832395 0.166751 1 Si Si98 1 0.333914 0.833548 0.499785 1 Si Si99 1 0.333431 0.833134 0.833195 1 Si Si100 1 0.666050 0.166822 0.166529 1 Si Si101 1 0.668535 0.166805 0.498904 1 Si Si102 1 0.664264 0.166399 0.831174 1 Si Si103 1 0.664261 0.502163 0.166931 1 Si Si104 1 0.667800 0.500227 0.500307 1 Si Si105 1 0.667412 0.499786 0.833547 1 Si Si106 1 0.668544 0.834447 0.166523 1 Si Si107 1 0.667722 0.833621 0.499704 1 Si Si108 1 0.667795 0.833037 0.833105 1 Si Si109 1 0.091453 0.251378 0.253645 1 Si Si110 1 0.083344 0.250000 0.583319 1 Si Si111 1 0.088289 0.249441 0.915114 1 Si Si112 1 0.083179 0.582682 0.249786 1 Si Si113 1 0.083347 0.583330 0.583339 1 Si Si114 1 0.083980 0.582437 0.917308 1 Si Si115 1 0.083453 0.918155 0.250249 1 Si Si116 1 0.083417 0.916745 0.583125 1 Si Si117 1 0.083382 0.917718 0.916945 1 Si Si118 1 0.417662 0.250054 0.250388 1 Si Si119 1 0.416789 0.250017 0.583661 1 Si Si120 1 0.417536 0.250066 0.916081 1 Si Si121 1 0.417984 0.585021 0.250371 1 Si Si122 1 0.417263 0.583455 0.583299 1 Si Si123 1 0.416949 0.583990 0.916417 1 Si Si124 1 0.417431 0.916068 0.250352 1 Si Si125 1 0.417557 0.916895 0.582993 1 Si Si126 1 0.417688 0.915787 0.916176 1 Si Si127 1 0.743623 0.251876 0.253832 1 Si Si128 1 0.751161 0.250013 0.583052 1 Si Si129 1 0.745094 0.250997 0.912872 1 Si Si130 1 0.750774 0.582955 0.249798 1 Si Si131 1 0.751147 0.583547 0.583678 1 Si Si132 1 0.751583 0.582113 0.917066 1 Si Si133 1 0.752771 0.919202 0.248498 1 Si Si134 1 0.751464 0.917119 0.582305 1 Si Si135 1 0.750003 0.916664 0.916664 1 Si Si136 1 0.170807 0.997415 0.167297 1 Si Si137 1 0.166305 0.000414 0.499458 1 Si Si138 1 0.167319 0.000357 0.833373 1 Si Si139 1 0.170854 0.335279 0.167932 1 Si Si140 1 0.166753 0.333277 0.499832 1 Si Si141 1 0.169630 0.333227 0.832177 1 Si Si142 1 0.166777 0.666529 0.166641 1 Si Si143 1 0.166729 0.666895 0.500071 1 Si Si144 1 0.166523 0.666467 0.833424 1 Si Si145 1 0.500270 0.999441 0.166851 1 Si Si146 1 0.501514 0.000123 0.499901 1 Si Si147 1 0.500185 0.999485 0.832301 1 Si Si148 1 0.500173 0.333760 0.166833 1 Si Si149 1 0.499741 0.333646 0.501873 1 Si Si150 1 0.500144 0.333537 0.832490 1 Si Si151 1 0.500714 0.668522 0.166751 1 Si Si152 1 0.500693 0.666889 0.499929 1 Si Si153 1 0.500893 0.666789 0.833302 1 Si Si154 1 0.834390 0.004213 0.163576 1 Si Si155 1 0.834517 0.000640 0.498294 1 Si Si156 1 0.834194 0.000960 0.834580 1 Si Si157 1 0.819845 0.339261 0.171749 1 Si Si158 1 0.834080 0.333449 0.499489 1 Si Si159 1 0.834463 0.332859 0.835433 1 Si Si160 1 0.834212 0.666541 0.166641 1 Si Si161 1 0.834033 0.666984 0.499969 1 Si Si162 1 0.834177 0.665999 0.833570 1 Si Si163 1 0.091446 0.079702 0.081968 1 Si Si164 1 0.083453 0.083086 0.415183 1 Si Si165 1 0.083154 0.083575 0.750675 1 Si Si166 1 0.088290 0.418238 0.083899 1 Si Si167 1 0.083390 0.416386 0.415627 1 Si Si168 1 0.083979 0.416038 0.750918 1 Si Si169 1 0.083346 0.750017 0.083335 1 Si Si170 1 0.083413 0.750211 0.416594 1 Si Si171 1 0.083347 0.749993 0.750002 1 Si Si172 1 0.417657 0.082964 0.083299 1 Si Si173 1 0.417428 0.082986 0.417273 1 Si Si174 1 0.417964 0.082963 0.748352 1 Si Si175 1 0.417537 0.417254 0.083270 1 Si Si176 1 0.417686 0.417159 0.417552 1 Si Si177 1 0.416937 0.416911 0.749371 1 Si Si178 1 0.416785 0.749710 0.083318 1 Si Si179 1 0.417572 0.750349 0.416435 1 Si Si180 1 0.417273 0.750033 0.749876 1 Si Si181 1 0.743617 0.079524 0.081464 1 Si Si182 1 0.752768 0.084841 0.414148 1 Si Si183 1 0.750782 0.083532 0.750386 1 Si Si184 1 0.745095 0.420463 0.082338 1 Si Si185 1 0.750006 0.416669 0.416668 1 Si Si186 1 0.751582 0.416267 0.751220 1 Si Si187 1 0.751165 0.750293 0.083305 1 Si Si188 1 0.751491 0.751021 0.416213 1 Si Si189 1 0.751143 0.749658 0.749787 1 Si Si190 1 0.170860 0.165417 0.998073 1 Si Si191 1 0.170807 0.166036 0.335920 1 Si Si192 1 0.166764 0.166698 0.666817 1 Si Si193 1 0.169641 0.501167 0.000106 1 Si Si194 1 0.167328 0.499970 0.332999 1 Si Si195 1 0.166521 0.499909 0.666873 1 Si Si196 1 0.166743 0.833505 0.000049 1 Si Si197 1 0.166301 0.833876 0.332920 1 Si Si198 1 0.166725 0.833271 0.666443 1 Si Si199 1 0.500171 0.166508 0.999592 1 Si Si200 1 0.500275 0.166483 0.333896 1 Si Si201 1 0.500708 0.166548 0.664824 1 Si Si202 1 0.500134 0.500846 0.999787 1 Si Si203 1 0.500185 0.501048 0.333860 1 Si Si204 1 0.500867 0.500014 0.666535 1 Si Si205 1 0.499753 0.831488 0.999695 1 Si Si206 1 0.501523 0.833434 0.333198 1 Si Si207 1 0.500700 0.833388 0.666426 1 Si Si208 1 0.819846 0.161591 0.994074 1 Si Si209 1 0.834399 0.169761 0.329142 1 Si Si210 1 0.834217 0.166693 0.666796 1 Si Si211 1 0.834473 0.497915 0.000491 1 Si Si212 1 0.834189 0.498752 0.332360 1 Si Si213 1 0.834178 0.499763 0.667337 1 Si Si214 1 0.834087 0.833854 0.999875 1 Si Si215 1 0.834529 0.835042 0.332679 1 Si Si216 1 0.834007 0.833351 0.666311 1 C C217 1 0.978986 0.248870 0.084471 1