# 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 0.291314 0.250057 0.083345 1 Si Si2 1 0.249543 0.249843 0.416183 1 Si Si3 1 0.249539 0.250245 0.750392 1 Si Si4 1 0.249545 0.582948 0.083095 1 Si Si5 1 0.248722 0.580375 0.413683 1 Si Si6 1 0.249345 0.583098 0.750246 1 Si Si7 1 0.249543 0.917164 0.083503 1 Si Si8 1 0.249387 0.916916 0.416433 1 Si Si9 1 0.248718 0.919647 0.752950 1 Si Si10 1 0.585225 0.250032 0.083312 1 Si Si11 1 0.584611 0.250232 0.418654 1 Si Si12 1 0.584586 0.249839 0.747950 1 Si Si13 1 0.584591 0.585391 0.083505 1 Si Si14 1 0.582069 0.583349 0.416637 1 Si Si15 1 0.582064 0.583938 0.749408 1 Si Si16 1 0.584596 0.914710 0.083119 1 Si Si17 1 0.582045 0.916118 0.417228 1 Si Si18 1 0.582071 0.916697 0.750002 1 Si Si19 1 0.914305 0.250037 0.083305 1 Si Si20 1 0.914597 0.249383 0.418085 1 Si Si21 1 0.914609 0.250616 0.748523 1 Si Si22 1 0.914618 0.584822 0.082724 1 Si Si23 1 0.916205 0.583424 0.416755 1 Si Si24 1 0.916331 0.583821 0.749520 1 Si Si25 1 0.914610 0.915250 0.083961 1 Si Si26 1 0.916348 0.916193 0.417145 1 Si Si27 1 0.916203 0.916587 0.749912 1 Si Si28 1 0.996347 0.998070 0.999523 1 Si Si29 1 0.999264 0.999917 0.333423 1 Si Si30 1 0.000268 0.999918 0.667258 1 Si Si31 1 0.995488 0.334755 0.998572 1 Si Si32 1 0.996341 0.333816 0.335261 1 Si Si33 1 0.999956 0.333342 0.666571 1 Si Si34 1 0.999956 0.666780 0.000000 1 Si Si35 1 0.000281 0.666056 0.333416 1 Si Si36 1 0.000167 0.666947 0.666389 1 Si Si37 1 0.332488 0.002261 0.001481 1 Si Si38 1 0.332409 0.000597 0.332753 1 Si Si39 1 0.332469 0.000581 0.667536 1 Si Si40 1 0.347747 0.340504 0.992845 1 Si Si41 1 0.332499 0.331859 0.331090 1 Si Si42 1 0.332796 0.333434 0.666622 1 Si Si43 1 0.332801 0.666722 0.999914 1 Si Si44 1 0.332467 0.665802 0.332759 1 Si Si45 1 0.332410 0.666697 0.666642 1 Si Si46 1 0.666867 0.999132 0.999808 1 Si Si47 1 0.666604 0.998919 0.334417 1 Si Si48 1 0.665639 0.999730 0.666481 1 Si Si49 1 0.667133 0.333957 0.999382 1 Si Si50 1 0.666874 0.333537 0.334219 1 Si Si51 1 0.666593 0.333730 0.665086 1 Si Si52 1 0.666596 0.668258 0.999622 1 Si Si53 1 0.665640 0.666868 0.333606 1 Si Si54 1 0.666178 0.666864 0.666479 1 Si Si55 1 0.248858 0.084403 0.248948 1 Si Si56 1 0.249122 0.083520 0.583551 1 Si Si57 1 0.247291 0.092548 0.925814 1 Si Si58 1 0.247304 0.407493 0.240773 1 Si Si59 1 0.249109 0.416481 0.583082 1 Si Si60 1 0.248858 0.415652 0.917684 1 Si Si61 1 0.249121 0.749786 0.249825 1 Si Si62 1 0.248993 0.750003 0.583329 1 Si Si63 1 0.249111 0.750266 0.916863 1 Si Si64 1 0.584231 0.082471 0.250878 1 Si Si65 1 0.581682 0.083075 0.583841 1 Si Si66 1 0.584199 0.082555 0.915818 1 Si Si67 1 0.584202 0.417524 0.250794 1 Si Si68 1 0.581672 0.416974 0.582823 1 Si Si69 1 0.584205 0.417584 0.915757 1 Si Si70 1 0.581677 0.749505 0.250261 1 Si Si71 1 0.582258 0.749997 0.583345 1 Si Si72 1 0.581664 0.750519 0.916384 1 Si Si73 1 0.913133 0.081943 0.251391 1 Si Si74 1 0.916765 0.083085 0.583606 1 Si Si75 1 0.914326 0.082722 0.916032 1 Si Si76 1 0.914333 0.417320 0.250612 1 Si Si77 1 0.916794 0.416879 0.582990 1 Si Si78 1 0.913125 0.418117 0.915227 1 Si Si79 1 0.916774 0.749730 0.250267 1 Si Si80 1 0.916049 0.749972 0.583373 1 Si Si81 1 0.916786 0.750351 0.916456 1 Si Si82 1 0.995464 0.165308 0.168025 1 Si Si83 1 0.999929 0.166639 0.500032 1 Si Si84 1 0.996355 0.166199 0.831355 1 Si Si85 1 0.996367 0.501970 0.167122 1 Si Si86 1 0.000307 0.500095 0.499383 1 Si Si87 1 0.999269 0.500136 0.833209 1 Si Si88 1 0.999939 0.833307 0.166711 1 Si Si89 1 0.000104 0.833022 0.500308 1 Si Si90 1 0.000304 0.833954 0.833239 1 Si Si91 1 0.347744 0.159563 0.173817 1 Si Si92 1 0.332753 0.166613 0.499967 1 Si Si93 1 0.332456 0.168226 0.835525 1 Si Si94 1 0.332460 0.497814 0.165114 1 Si Si95 1 0.332438 0.499436 0.499105 1 Si Si96 1 0.332411 0.499454 0.833894 1 Si Si97 1 0.332745 0.833374 0.166735 1 Si Si98 1 0.332460 0.833301 0.500039 1 Si Si99 1 0.332443 0.834239 0.833901 1 Si Si100 1 0.667130 0.166107 0.167242 1 Si Si101 1 0.666589 0.166347 0.501574 1 Si Si102 1 0.666860 0.166526 0.832359 1 Si Si103 1 0.666859 0.500979 0.166819 1 Si Si104 1 0.665622 0.500284 0.500141 1 Si Si105 1 0.666594 0.501119 0.832222 1 Si Si106 1 0.666578 0.831777 0.166990 1 Si Si107 1 0.666106 0.833152 0.500188 1 Si Si108 1 0.665618 0.833192 0.833074 1 Si Si109 1 0.076323 0.248282 0.253321 1 Si Si110 1 0.083071 0.249962 0.583316 1 Si Si111 1 0.076328 0.251803 0.913230 1 Si Si112 1 0.082751 0.582458 0.249501 1 Si Si113 1 0.082991 0.583276 0.583079 1 Si Si114 1 0.082806 0.582866 0.916749 1 Si Si115 1 0.082843 0.917250 0.249873 1 Si Si116 1 0.082946 0.916753 0.583542 1 Si Si117 1 0.082742 0.917550 0.917188 1 Si Si118 1 0.423360 0.250884 0.254096 1 Si Si119 1 0.415741 0.250016 0.583282 1 Si Si120 1 0.423337 0.249193 0.912518 1 Si Si121 1 0.414953 0.581905 0.249263 1 Si Si122 1 0.415160 0.583342 0.582713 1 Si Si123 1 0.415906 0.583502 0.916459 1 Si Si124 1 0.415907 0.916575 0.250168 1 Si Si125 1 0.415212 0.916695 0.583926 1 Si Si126 1 0.414982 0.918129 0.917363 1 Si Si127 1 0.749350 0.249998 0.250693 1 Si Si128 1 0.749701 0.250038 0.583336 1 Si Si129 1 0.749344 0.250058 0.915909 1 Si Si130 1 0.749348 0.584226 0.250396 1 Si Si131 1 0.749203 0.583506 0.583124 1 Si Si132 1 0.748951 0.584783 0.915815 1 Si Si133 1 0.748944 0.915244 0.250814 1 Si Si134 1 0.749195 0.916474 0.583514 1 Si Si135 1 0.749345 0.915841 0.916273 1 Si Si136 1 0.165937 0.000747 0.165653 1 Si Si137 1 0.166276 0.000169 0.499921 1 Si Si138 1 0.166735 0.005203 0.838526 1 Si Si139 1 0.151687 0.325354 0.158597 1 Si Si140 1 0.166257 0.333092 0.499429 1 Si Si141 1 0.165940 0.332410 0.833956 1 Si Si142 1 0.166277 0.666105 0.166458 1 Si Si143 1 0.166729 0.665375 0.498653 1 Si Si144 1 0.166294 0.666653 0.833482 1 Si Si145 1 0.503219 0.996891 0.167674 1 Si Si146 1 0.498808 0.999628 0.500307 1 Si Si147 1 0.499188 0.000188 0.833470 1 Si Si148 1 0.503125 0.333591 0.166841 1 Si Si149 1 0.498884 0.333202 0.499475 1 Si Si150 1 0.503221 0.334402 0.830128 1 Si Si151 1 0.498850 0.666190 0.166487 1 Si Si152 1 0.499066 0.666678 0.499992 1 Si Si153 1 0.498799 0.667018 0.832901 1 Si Si154 1 0.831606 0.998671 0.167015 1 Si Si155 1 0.833443 0.999593 0.500604 1 Si Si156 1 0.832126 0.999318 0.832625 1 Si Si157 1 0.832088 0.333605 0.166884 1 Si Si158 1 0.832776 0.333474 0.500645 1 Si Si159 1 0.831626 0.333713 0.831946 1 Si Si160 1 0.832789 0.667396 0.166821 1 Si Si161 1 0.833016 0.666660 0.499993 1 Si Si162 1 0.833477 0.667334 0.832944 1 Si Si163 1 0.076326 0.080019 0.085050 1 Si Si164 1 0.082833 0.083468 0.416100 1 Si Si165 1 0.082739 0.083832 0.750860 1 Si Si166 1 0.076342 0.420094 0.081518 1 Si Si167 1 0.082746 0.416146 0.415785 1 Si Si168 1 0.082804 0.416595 0.750481 1 Si Si169 1 0.083076 0.750027 0.083386 1 Si Si170 1 0.082951 0.749789 0.416576 1 Si Si171 1 0.082990 0.750253 0.750062 1 Si Si172 1 0.423328 0.079275 0.082464 1 Si Si173 1 0.415915 0.083181 0.416772 1 Si Si174 1 0.414956 0.084078 0.751436 1 Si Si175 1 0.423344 0.420834 0.084144 1 Si Si176 1 0.414988 0.415989 0.415218 1 Si Si177 1 0.415905 0.416891 0.749842 1 Si Si178 1 0.415740 0.750068 0.083334 1 Si Si179 1 0.415208 0.749417 0.416641 1 Si Si180 1 0.415165 0.750625 0.749996 1 Si Si181 1 0.749346 0.082653 0.083353 1 Si Si182 1 0.748943 0.082526 0.418095 1 Si Si183 1 0.749352 0.082946 0.749118 1 Si Si184 1 0.749343 0.417429 0.083288 1 Si Si185 1 0.749349 0.417090 0.417498 1 Si Si186 1 0.748960 0.417535 0.748554 1 Si Si187 1 0.749704 0.750008 0.083319 1 Si Si188 1 0.749196 0.749831 0.416867 1 Si Si189 1 0.749201 0.750220 0.749843 1 Si Si190 1 0.151691 0.174719 0.007935 1 Si Si191 1 0.165934 0.167685 0.332609 1 Si Si192 1 0.166269 0.166883 0.667230 1 Si Si193 1 0.165944 0.499387 0.000927 1 Si Si194 1 0.166750 0.494786 0.328119 1 Si Si195 1 0.166292 0.499864 0.666694 1 Si Si196 1 0.166255 0.833918 0.000251 1 Si Si197 1 0.166281 0.833422 0.333171 1 Si Si198 1 0.166727 0.834675 0.667955 1 Si Si199 1 0.503120 0.166504 0.999758 1 Si Si200 1 0.503245 0.165676 0.336477 1 Si Si201 1 0.498853 0.166854 0.667148 1 Si Si202 1 0.503233 0.503219 0.998940 1 Si Si203 1 0.499191 0.499875 0.333150 1 Si Si204 1 0.498799 0.500450 0.666326 1 Si Si205 1 0.498882 0.833874 0.000152 1 Si Si206 1 0.498809 0.833036 0.333712 1 Si Si207 1 0.499073 0.833349 0.666667 1 Si Si208 1 0.832077 0.166462 0.999741 1 Si Si209 1 0.831603 0.166317 0.334661 1 Si Si210 1 0.832782 0.166532 0.665948 1 Si Si211 1 0.831624 0.501397 0.999633 1 Si Si212 1 0.832132 0.500725 0.334014 1 Si Si213 1 0.833488 0.500395 0.665996 1 Si Si214 1 0.832780 0.832690 0.999872 1 Si Si215 1 0.833447 0.832732 0.333749 1 Si Si216 1 0.833012 0.833344 0.666681 1 C C217 1 0.183349 0.249989 0.083300 1