# 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 0.291081 0.249948 0.083324 1 Si Si2 1 0.249434 0.249726 0.416271 1 Si Si3 1 0.249404 0.250237 0.750393 1 Si Si4 1 0.249409 0.582900 0.083067 1 Si Si5 1 0.248629 0.580351 0.413700 1 Si Si6 1 0.249329 0.583136 0.750167 1 Si Si7 1 0.249428 0.917034 0.083566 1 Si Si8 1 0.249373 0.916864 0.416438 1 Si Si9 1 0.248617 0.919588 0.752956 1 Si Si10 1 0.585105 0.249960 0.083320 1 Si Si11 1 0.584518 0.250174 0.418688 1 Si Si12 1 0.584468 0.249817 0.748001 1 Si Si13 1 0.584460 0.585289 0.083472 1 Si Si14 1 0.582004 0.583305 0.416574 1 Si Si15 1 0.582052 0.583874 0.749425 1 Si Si16 1 0.584511 0.914603 0.083119 1 Si Si17 1 0.582004 0.916089 0.417215 1 Si Si18 1 0.582006 0.916711 0.749986 1 Si Si19 1 0.914260 0.249966 0.083325 1 Si Si20 1 0.914465 0.249353 0.418140 1 Si Si21 1 0.914559 0.250638 0.748572 1 Si Si22 1 0.914556 0.584725 0.082662 1 Si Si23 1 0.916144 0.583428 0.416693 1 Si Si24 1 0.916311 0.583807 0.749493 1 Si Si25 1 0.914461 0.915160 0.083942 1 Si Si26 1 0.916332 0.916191 0.417105 1 Si Si27 1 0.916153 0.916609 0.749872 1 Si Si28 1 0.996301 0.997942 0.999580 1 Si Si29 1 0.999279 0.999904 0.333396 1 Si Si30 1 0.000296 0.999926 0.667251 1 Si Si31 1 0.995477 0.334691 0.998610 1 Si Si32 1 0.996298 0.333721 0.335354 1 Si Si33 1 0.999926 0.333374 0.666592 1 Si Si34 1 0.999917 0.666718 0.999933 1 Si Si35 1 0.000292 0.666060 0.333383 1 Si Si36 1 0.000113 0.666972 0.666343 1 Si Si37 1 0.332430 0.002156 0.001588 1 Si Si38 1 0.332506 0.000505 0.332794 1 Si Si39 1 0.332428 0.000532 0.667593 1 Si Si40 1 0.347591 0.340403 0.992892 1 Si Si41 1 0.332410 0.331708 0.331132 1 Si Si42 1 0.332773 0.333441 0.666688 1 Si Si43 1 0.332778 0.666603 0.999862 1 Si Si44 1 0.332440 0.665713 0.332759 1 Si Si45 1 0.332486 0.666708 0.666585 1 Si Si46 1 0.666857 0.999023 0.999837 1 Si Si47 1 0.666678 0.998830 0.334476 1 Si Si48 1 0.665633 0.999758 0.666519 1 Si Si49 1 0.667102 0.333886 0.999408 1 Si Si50 1 0.666865 0.333454 0.334273 1 Si Si51 1 0.666503 0.333717 0.665092 1 Si Si52 1 0.666501 0.668205 0.999579 1 Si Si53 1 0.665639 0.666785 0.333547 1 Si Si54 1 0.666174 0.666834 0.666467 1 Si Si55 1 0.248853 0.084284 0.249013 1 Si Si56 1 0.249139 0.083485 0.583534 1 Si Si57 1 0.247224 0.092455 0.925904 1 Si Si58 1 0.247202 0.407400 0.240850 1 Si Si59 1 0.249140 0.416549 0.583090 1 Si Si60 1 0.248827 0.415654 0.917654 1 Si Si61 1 0.249142 0.749761 0.249805 1 Si Si62 1 0.248975 0.749980 0.583318 1 Si Si63 1 0.249151 0.750205 0.916755 1 Si Si64 1 0.584261 0.082388 0.250916 1 Si Si65 1 0.581558 0.083045 0.583908 1 Si Si66 1 0.584180 0.082480 0.915833 1 Si Si67 1 0.584180 0.417454 0.250817 1 Si Si68 1 0.581600 0.416978 0.582809 1 Si Si69 1 0.584179 0.417544 0.915754 1 Si Si70 1 0.581556 0.749389 0.250261 1 Si Si71 1 0.582367 0.750022 0.583261 1 Si Si72 1 0.581608 0.750491 0.916312 1 Si Si73 1 0.913024 0.081882 0.251413 1 Si Si74 1 0.916716 0.083162 0.583701 1 Si Si75 1 0.914344 0.082682 0.916034 1 Si Si76 1 0.914332 0.417263 0.250616 1 Si Si77 1 0.916661 0.416888 0.582995 1 Si Si78 1 0.913130 0.418054 0.915246 1 Si Si79 1 0.916714 0.749599 0.250137 1 Si Si80 1 0.916031 0.750031 0.583270 1 Si Si81 1 0.916659 0.750304 0.916410 1 Si Si82 1 0.995426 0.165212 0.168082 1 Si Si83 1 0.999917 0.166676 0.500077 1 Si Si84 1 0.996366 0.166209 0.831343 1 Si Si85 1 0.996364 0.501956 0.167097 1 Si Si86 1 0.000211 0.500102 0.499393 1 Si Si87 1 0.999281 0.500095 0.833212 1 Si Si88 1 0.999913 0.833220 0.166625 1 Si Si89 1 0.000176 0.833054 0.500246 1 Si Si90 1 0.000215 0.833912 0.833205 1 Si Si91 1 0.347618 0.159511 0.173773 1 Si Si92 1 0.332836 0.166576 0.499987 1 Si Si93 1 0.332318 0.168203 0.835559 1 Si Si94 1 0.332312 0.497727 0.165109 1 Si Si95 1 0.332490 0.499439 0.499047 1 Si Si96 1 0.332415 0.499453 0.833838 1 Si Si97 1 0.332835 0.833318 0.166718 1 Si Si98 1 0.332475 0.833247 0.500052 1 Si Si99 1 0.332490 0.834242 0.833848 1 Si Si100 1 0.667114 0.166060 0.167240 1 Si Si101 1 0.666509 0.166267 0.501638 1 Si Si102 1 0.666829 0.166535 0.832404 1 Si Si103 1 0.666819 0.500893 0.166764 1 Si Si104 1 0.665590 0.500298 0.500132 1 Si Si105 1 0.666643 0.501090 0.832212 1 Si Si106 1 0.666501 0.831660 0.167032 1 Si Si107 1 0.666222 0.833191 0.500107 1 Si Si108 1 0.665599 0.833165 0.832996 1 Si Si109 1 0.076284 0.248170 0.253397 1 Si Si110 1 0.083007 0.250032 0.583330 1 Si Si111 1 0.076345 0.251717 0.913323 1 Si Si112 1 0.082721 0.582459 0.249424 1 Si Si113 1 0.082890 0.583252 0.583078 1 Si Si114 1 0.082774 0.582848 0.916693 1 Si Si115 1 0.082741 0.917103 0.249908 1 Si Si116 1 0.082943 0.916748 0.583554 1 Si Si117 1 0.082647 0.917461 0.917218 1 Si Si118 1 0.423270 0.250781 0.254108 1 Si Si119 1 0.415652 0.250033 0.583340 1 Si Si120 1 0.423209 0.249106 0.912564 1 Si Si121 1 0.414855 0.581819 0.249238 1 Si Si122 1 0.415205 0.583349 0.582678 1 Si Si123 1 0.415866 0.583421 0.916429 1 Si Si124 1 0.415921 0.916487 0.250197 1 Si Si125 1 0.415151 0.916638 0.583961 1 Si Si126 1 0.414925 0.918100 0.917384 1 Si Si127 1 0.749294 0.249945 0.250712 1 Si Si128 1 0.749573 0.249995 0.583377 1 Si Si129 1 0.749305 0.250010 0.915946 1 Si Si130 1 0.749282 0.584132 0.250334 1 Si Si131 1 0.749176 0.583492 0.583130 1 Si Si132 1 0.748903 0.584744 0.915845 1 Si Si133 1 0.748876 0.915137 0.250799 1 Si Si134 1 0.749189 0.916553 0.583478 1 Si Si135 1 0.749278 0.915777 0.916213 1 Si Si136 1 0.165898 0.000613 0.165744 1 Si Si137 1 0.166328 0.000126 0.499936 1 Si Si138 1 0.166610 0.005121 0.838524 1 Si Si139 1 0.151576 0.325275 0.158747 1 Si Si140 1 0.166302 0.333138 0.499499 1 Si Si141 1 0.165873 0.332392 0.833989 1 Si Si142 1 0.166289 0.666150 0.166431 1 Si Si143 1 0.166663 0.665366 0.498709 1 Si Si144 1 0.166310 0.666625 0.833424 1 Si Si145 1 0.503249 0.996828 0.167747 1 Si Si146 1 0.498818 0.999528 0.500394 1 Si Si147 1 0.499135 0.000197 0.833516 1 Si Si148 1 0.503064 0.333514 0.166890 1 Si Si149 1 0.498863 0.333159 0.499488 1 Si Si150 1 0.503147 0.334375 0.830227 1 Si Si151 1 0.498785 0.666075 0.166451 1 Si Si152 1 0.499143 0.666675 0.499960 1 Si Si153 1 0.498809 0.666973 0.832866 1 Si Si154 1 0.831543 0.998593 0.167039 1 Si Si155 1 0.833536 0.999641 0.500627 1 Si Si156 1 0.832128 0.999303 0.832632 1 Si Si157 1 0.832093 0.333549 0.166909 1 Si Si158 1 0.832680 0.333447 0.500704 1 Si Si159 1 0.831613 0.333697 0.831984 1 Si Si160 1 0.832729 0.667273 0.166725 1 Si Si161 1 0.832992 0.666669 0.499952 1 Si Si162 1 0.833455 0.667254 0.832920 1 Si Si163 1 0.076293 0.079906 0.085117 1 Si Si164 1 0.082741 0.083392 0.416196 1 Si Si165 1 0.082734 0.083885 0.750849 1 Si Si166 1 0.076340 0.419973 0.081591 1 Si Si167 1 0.082642 0.416086 0.415841 1 Si Si168 1 0.082778 0.416616 0.750459 1 Si Si169 1 0.083010 0.749974 0.083273 1 Si Si170 1 0.082952 0.749754 0.416549 1 Si Si171 1 0.082894 0.750225 0.750066 1 Si Si172 1 0.423285 0.079181 0.082516 1 Si Si173 1 0.415920 0.083098 0.416819 1 Si Si174 1 0.414853 0.084060 0.751477 1 Si Si175 1 0.423206 0.420726 0.084204 1 Si Si176 1 0.414923 0.415893 0.415192 1 Si Si177 1 0.415868 0.416871 0.749872 1 Si Si178 1 0.415655 0.749953 0.083264 1 Si Si179 1 0.415154 0.749344 0.416663 1 Si Si180 1 0.415209 0.750616 0.749941 1 Si Si181 1 0.749284 0.082587 0.083346 1 Si Si182 1 0.748887 0.082504 0.418163 1 Si Si183 1 0.749293 0.082962 0.749164 1 Si Si184 1 0.749293 0.417344 0.083294 1 Si Si185 1 0.749274 0.417079 0.417525 1 Si Si186 1 0.748900 0.417453 0.748560 1 Si Si187 1 0.749567 0.749919 0.083306 1 Si Si188 1 0.749196 0.749822 0.416749 1 Si Si189 1 0.749188 0.750168 0.749805 1 Si Si190 1 0.151590 0.174557 0.008014 1 Si Si191 1 0.165902 0.167552 0.332689 1 Si Si192 1 0.166291 0.166868 0.667140 1 Si Si193 1 0.165864 0.499312 0.000920 1 Si Si194 1 0.166605 0.494788 0.328185 1 Si Si195 1 0.166303 0.499889 0.666674 1 Si Si196 1 0.166307 0.833798 0.000160 1 Si Si197 1 0.166341 0.833367 0.333167 1 Si Si198 1 0.166660 0.834583 0.667939 1 Si Si199 1 0.503060 0.166398 0.999767 1 Si Si200 1 0.503233 0.165553 0.336469 1 Si Si201 1 0.498777 0.166850 0.667217 1 Si Si202 1 0.503136 0.503059 0.998923 1 Si Si203 1 0.499132 0.499773 0.333099 1 Si Si204 1 0.498807 0.500437 0.666322 1 Si Si205 1 0.498859 0.833803 0.000127 1 Si Si206 1 0.498816 0.832914 0.333771 1 Si Si207 1 0.499149 0.833326 0.666610 1 Si Si208 1 0.832094 0.166384 0.999741 1 Si Si209 1 0.831554 0.166258 0.334702 1 Si Si210 1 0.832731 0.166581 0.666024 1 Si Si211 1 0.831606 0.501310 0.999604 1 Si Si212 1 0.832117 0.500670 0.333997 1 Si Si213 1 0.833448 0.500382 0.666045 1 Si Si214 1 0.832675 0.832589 0.999852 1 Si Si215 1 0.833534 0.832671 0.333658 1 Si Si216 1 0.832993 0.833355 0.666629 1 C C217 1 0.183131 0.249896 0.083414 1