# 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 0.253621 0.242019 0.081943 1 Si Si2 1 0.250177 0.250144 0.414939 1 Si Si3 1 0.249687 0.250096 0.750782 1 Si Si4 1 0.253744 0.589819 0.081562 1 Si Si5 1 0.248624 0.580544 0.414202 1 Si Si6 1 0.249828 0.582554 0.750470 1 Si Si7 1 0.250354 0.915902 0.083278 1 Si Si8 1 0.250176 0.916107 0.417187 1 Si Si9 1 0.250439 0.915418 0.748446 1 Si Si10 1 0.583002 0.249808 0.083482 1 Si Si11 1 0.582904 0.249845 0.416509 1 Si Si12 1 0.583489 0.249635 0.750021 1 Si Si13 1 0.583080 0.582096 0.083398 1 Si Si14 1 0.582372 0.581787 0.416231 1 Si Si15 1 0.583663 0.581985 0.749880 1 Si Si16 1 0.583825 0.916423 0.083394 1 Si Si17 1 0.582992 0.915927 0.416459 1 Si Si18 1 0.583349 0.915899 0.750000 1 Si Si19 1 0.915072 0.245009 0.083973 1 Si Si20 1 0.916953 0.249953 0.415634 1 Si Si21 1 0.917467 0.249382 0.751170 1 Si Si22 1 0.912939 0.588173 0.082455 1 Si Si23 1 0.916796 0.582975 0.416785 1 Si Si24 1 0.917176 0.581638 0.751315 1 Si Si25 1 0.916183 0.915910 0.083349 1 Si Si26 1 0.916218 0.915772 0.417727 1 Si Si27 1 0.916553 0.916358 0.749434 1 Si Si28 1 0.000048 0.998931 0.000058 1 Si Si29 1 0.999708 0.998478 0.334266 1 Si Si30 1 0.000125 0.999575 0.666182 1 Si Si31 1 0.009240 0.322320 0.009226 1 Si Si32 1 0.001007 0.332440 0.331766 1 Si Si33 1 0.000341 0.332831 0.667161 1 Si Si34 1 0.999546 0.668550 0.999571 1 Si Si35 1 0.999156 0.670774 0.336969 1 Si Si36 1 0.000331 0.665225 0.667226 1 Si Si37 1 0.334273 0.998394 0.999729 1 Si Si38 1 0.333726 0.998961 0.333705 1 Si Si39 1 0.333234 0.999909 0.665993 1 Si Si40 1 0.331783 0.332452 0.001032 1 Si Si41 1 0.326347 0.335501 0.326291 1 Si Si42 1 0.333096 0.333030 0.666771 1 Si Si43 1 0.336973 0.670822 0.999159 1 Si Si44 1 0.332537 0.665226 0.332580 1 Si Si45 1 0.333309 0.665124 0.666378 1 Si Si46 1 0.666191 0.999591 0.000121 1 Si Si47 1 0.666032 0.999885 0.333271 1 Si Si48 1 0.666738 0.999401 0.666726 1 Si Si49 1 0.667107 0.332816 0.000310 1 Si Si50 1 0.666735 0.333051 0.333132 1 Si Si51 1 0.668108 0.333262 0.668103 1 Si Si52 1 0.667233 0.665194 0.000346 1 Si Si53 1 0.666410 0.665115 0.333318 1 Si Si54 1 0.666660 0.665665 0.666657 1 Si Si55 1 0.250372 0.081534 0.250352 1 Si Si56 1 0.250034 0.083662 0.582938 1 Si Si57 1 0.250768 0.080196 0.915301 1 Si Si58 1 0.234280 0.415553 0.234218 1 Si Si59 1 0.249687 0.415966 0.582726 1 Si Si60 1 0.247900 0.416781 0.918574 1 Si Si61 1 0.249817 0.750059 0.249922 1 Si Si62 1 0.249974 0.748066 0.582418 1 Si Si63 1 0.250878 0.750899 0.915762 1 Si Si64 1 0.582978 0.083632 0.250076 1 Si Si65 1 0.583245 0.082673 0.583208 1 Si Si66 1 0.583511 0.083669 0.916713 1 Si Si67 1 0.582693 0.415985 0.249724 1 Si Si68 1 0.583514 0.415586 0.583487 1 Si Si69 1 0.583341 0.415850 0.916748 1 Si Si70 1 0.582464 0.748066 0.249973 1 Si Si71 1 0.583137 0.749003 0.583158 1 Si Si72 1 0.583842 0.748545 0.916764 1 Si Si73 1 0.915279 0.080253 0.250744 1 Si Si74 1 0.916772 0.083667 0.583473 1 Si Si75 1 0.916511 0.081857 0.916507 1 Si Si76 1 0.918585 0.416768 0.247858 1 Si Si77 1 0.916797 0.415883 0.583385 1 Si Si78 1 0.925827 0.413444 0.925810 1 Si Si79 1 0.915759 0.750859 0.250889 1 Si Si80 1 0.916754 0.748550 0.583819 1 Si Si81 1 0.916055 0.750624 0.916070 1 Si Si82 1 0.998121 0.162575 0.167974 1 Si Si83 1 0.000118 0.166630 0.499635 1 Si Si84 1 0.000292 0.163615 0.832168 1 Si Si85 1 0.994250 0.513427 0.171754 1 Si Si86 1 0.000047 0.498947 0.499585 1 Si Si87 1 0.000709 0.498724 0.835522 1 Si Si88 1 0.999586 0.833166 0.166957 1 Si Si89 1 0.999827 0.833488 0.501790 1 Si Si90 1 0.999897 0.833179 0.832593 1 Si Si91 1 0.335861 0.162676 0.167203 1 Si Si92 1 0.332813 0.167287 0.499068 1 Si Si93 1 0.333090 0.165925 0.833298 1 Si Si94 1 0.329116 0.499097 0.163649 1 Si Si95 1 0.332674 0.498725 0.498363 1 Si Si96 1 0.332308 0.499047 0.834712 1 Si Si97 1 0.333779 0.833080 0.166801 1 Si Si98 1 0.333164 0.832041 0.499834 1 Si Si99 1 0.334061 0.833171 0.832326 1 Si Si100 1 0.666790 0.166569 0.166663 1 Si Si101 1 0.666297 0.166582 0.500069 1 Si Si102 1 0.667307 0.166879 0.833523 1 Si Si103 1 0.666917 0.499015 0.166647 1 Si Si104 1 0.666477 0.499066 0.499829 1 Si Si105 1 0.667360 0.498953 0.833694 1 Si Si106 1 0.665056 0.832592 0.166868 1 Si Si107 1 0.666442 0.832568 0.499919 1 Si Si108 1 0.666647 0.832309 0.833439 1 Si Si109 1 0.081946 0.242027 0.253596 1 Si Si110 1 0.083504 0.249831 0.583043 1 Si Si111 1 0.083967 0.244960 0.915100 1 Si Si112 1 0.081554 0.589766 0.253717 1 Si Si113 1 0.083392 0.582089 0.583101 1 Si Si114 1 0.082471 0.588228 0.912945 1 Si Si115 1 0.083250 0.915925 0.250397 1 Si Si116 1 0.083374 0.916398 0.583806 1 Si Si117 1 0.083331 0.915912 0.916188 1 Si Si118 1 0.414987 0.250098 0.250155 1 Si Si119 1 0.416482 0.249848 0.582919 1 Si Si120 1 0.415609 0.249931 0.916973 1 Si Si121 1 0.414203 0.580604 0.248647 1 Si Si122 1 0.416220 0.581778 0.582349 1 Si Si123 1 0.416779 0.583005 0.916813 1 Si Si124 1 0.417167 0.916046 0.250179 1 Si Si125 1 0.416466 0.915954 0.582982 1 Si Si126 1 0.417750 0.915738 0.916205 1 Si Si127 1 0.750733 0.250117 0.249723 1 Si Si128 1 0.750075 0.249653 0.583515 1 Si Si129 1 0.751174 0.249423 0.917447 1 Si Si130 1 0.750475 0.582538 0.249816 1 Si Si131 1 0.749880 0.581972 0.583665 1 Si Si132 1 0.751291 0.581580 0.917191 1 Si Si133 1 0.748495 0.915423 0.250452 1 Si Si134 1 0.750022 0.915899 0.583351 1 Si Si135 1 0.749453 0.916366 0.916561 1 Si Si136 1 0.166751 0.998826 0.166768 1 Si Si137 1 0.166612 0.998916 0.501000 1 Si Si138 1 0.166987 0.997899 0.831981 1 Si Si139 1 0.157548 0.314481 0.157527 1 Si Si140 1 0.166585 0.332742 0.498929 1 Si Si141 1 0.165807 0.332503 0.834951 1 Si Si142 1 0.166431 0.667424 0.166440 1 Si Si143 1 0.166582 0.664680 0.498880 1 Si Si144 1 0.167075 0.669102 0.831320 1 Si Si145 1 0.501000 0.998896 0.166668 1 Si Si146 1 0.499654 0.999574 0.499633 1 Si Si147 1 0.500419 0.000018 0.833188 1 Si Si148 1 0.498937 0.332739 0.166587 1 Si Si149 1 0.498756 0.333523 0.498775 1 Si Si150 1 0.499700 0.332731 0.833460 1 Si Si151 1 0.498891 0.664718 0.166585 1 Si Si152 1 0.499674 0.665550 0.499669 1 Si Si153 1 0.500325 0.665351 0.833239 1 Si Si154 1 0.831976 0.997932 0.166967 1 Si Si155 1 0.833219 0.000022 0.500430 1 Si Si156 1 0.833193 0.999205 0.833175 1 Si Si157 1 0.834894 0.332511 0.165835 1 Si Si158 1 0.833507 0.332777 0.499747 1 Si Si159 1 0.838860 0.333378 0.838841 1 Si Si160 1 0.831338 0.669063 0.167064 1 Si Si161 1 0.833240 0.665329 0.500334 1 Si Si162 1 0.833584 0.665710 0.833631 1 Si Si163 1 0.083475 0.081891 0.083489 1 Si Si164 1 0.083208 0.081183 0.418199 1 Si Si165 1 0.083761 0.081687 0.749054 1 Si Si166 1 0.107115 0.459090 0.107041 1 Si Si167 1 0.083363 0.416104 0.415767 1 Si Si168 1 0.083523 0.416041 0.751045 1 Si Si169 1 0.083371 0.750724 0.083427 1 Si Si170 1 0.083473 0.751711 0.419188 1 Si Si171 1 0.083468 0.750896 0.748478 1 Si Si172 1 0.418225 0.081109 0.083190 1 Si Si173 1 0.416471 0.083487 0.416462 1 Si Si174 1 0.416771 0.083100 0.749606 1 Si Si175 1 0.415790 0.416128 0.083367 1 Si Si176 1 0.413487 0.414278 0.413486 1 Si Si177 1 0.416257 0.416474 0.750519 1 Si Si178 1 0.419182 0.751745 0.083503 1 Si Si179 1 0.416199 0.748587 0.416208 1 Si Si180 1 0.416923 0.748658 0.749641 1 Si Si181 1 0.749065 0.081734 0.083732 1 Si Si182 1 0.749624 0.083111 0.416795 1 Si Si183 1 0.750103 0.083005 0.750079 1 Si Si184 1 0.750979 0.416014 0.083531 1 Si Si185 1 0.750560 0.416457 0.416246 1 Si Si186 1 0.753158 0.415198 0.753150 1 Si Si187 1 0.748489 0.750874 0.083479 1 Si Si188 1 0.749657 0.748661 0.416947 1 Si Si189 1 0.750098 0.748984 0.750117 1 Si Si190 1 0.167993 0.162549 0.998146 1 Si Si191 1 0.167242 0.162706 0.335811 1 Si Si192 1 0.166663 0.166563 0.666802 1 Si Si193 1 0.171809 0.513483 0.994188 1 Si Si194 1 0.163659 0.499042 0.329080 1 Si Si195 1 0.166638 0.499023 0.666950 1 Si Si196 1 0.166910 0.833160 0.999607 1 Si Si197 1 0.166763 0.833124 0.333868 1 Si Si198 1 0.166863 0.832573 0.665015 1 Si Si199 1 0.499631 0.166575 0.000081 1 Si Si200 1 0.499100 0.167267 0.332825 1 Si Si201 1 0.500059 0.166537 0.666253 1 Si Si202 1 0.499599 0.498953 0.000024 1 Si Si203 1 0.498351 0.498768 0.332705 1 Si Si204 1 0.499861 0.499079 0.666441 1 Si Si205 1 0.501824 0.833490 0.999848 1 Si Si206 1 0.499852 0.832001 0.333167 1 Si Si207 1 0.499891 0.832576 0.666450 1 Si Si208 1 0.832187 0.163653 0.000246 1 Si Si209 1 0.833271 0.165950 0.333099 1 Si Si210 1 0.833563 0.166852 0.667278 1 Si Si211 1 0.835499 0.498669 0.000719 1 Si Si212 1 0.834735 0.499031 0.332261 1 Si Si213 1 0.833707 0.498973 0.667379 1 Si Si214 1 0.832597 0.833169 0.999909 1 Si Si215 1 0.832363 0.833152 0.334071 1 Si Si216 1 0.833437 0.832288 0.666657 1 C C217 1 0.084215 0.353970 0.084111 1