# 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 0.291384 0.239159 0.072542 1 Si Si2 1 0.249348 0.249790 0.415813 1 Si Si3 1 0.249538 0.250226 0.750951 1 Si Si4 1 0.249356 0.582477 0.083117 1 Si Si5 1 0.248463 0.580375 0.413723 1 Si Si6 1 0.249841 0.582997 0.750283 1 Si Si7 1 0.249506 0.917567 0.083605 1 Si Si8 1 0.249872 0.916922 0.416359 1 Si Si9 1 0.248267 0.920013 0.753357 1 Si Si10 1 0.584461 0.249782 0.083321 1 Si Si11 1 0.584311 0.250071 0.418527 1 Si Si12 1 0.584859 0.249850 0.747651 1 Si Si13 1 0.584313 0.585188 0.083404 1 Si Si14 1 0.582234 0.583180 0.416520 1 Si Si15 1 0.582147 0.583692 0.749717 1 Si Si16 1 0.584876 0.914285 0.083176 1 Si Si17 1 0.582132 0.916344 0.417063 1 Si Si18 1 0.582128 0.916829 0.750175 1 Si Si19 1 0.914853 0.249947 0.083283 1 Si Si20 1 0.914684 0.249636 0.417922 1 Si Si21 1 0.914569 0.250327 0.748620 1 Si Si22 1 0.914676 0.584583 0.082971 1 Si Si23 1 0.916657 0.583335 0.416670 1 Si Si24 1 0.916661 0.583342 0.749993 1 Si Si25 1 0.914570 0.915267 0.083673 1 Si Si26 1 0.916660 0.916660 0.416677 1 Si Si27 1 0.916664 0.916665 0.749998 1 Si Si28 1 0.996030 0.997897 0.999713 1 Si Si29 1 0.999416 0.000244 0.333136 1 Si Si30 1 0.000279 0.000154 0.667045 1 Si Si31 1 0.995880 0.334786 0.998816 1 Si Si32 1 0.996255 0.333532 0.335272 1 Si Si33 1 0.999911 0.333272 0.666790 1 Si Si34 1 0.999907 0.666539 0.000036 1 Si Si35 1 0.000121 0.666495 0.333305 1 Si Si36 1 0.999990 0.666775 0.666604 1 Si Si37 1 0.332314 0.003207 0.002085 1 Si Si38 1 0.332466 0.000816 0.332226 1 Si Si39 1 0.332259 0.000689 0.667940 1 Si Si40 1 0.347650 0.339794 0.993147 1 Si Si41 1 0.331913 0.332257 0.330931 1 Si Si42 1 0.332630 0.333385 0.667085 1 Si Si43 1 0.332298 0.666506 0.000004 1 Si Si44 1 0.332348 0.665704 0.332809 1 Si Si45 1 0.332497 0.666806 0.666668 1 Si Si46 1 0.666651 0.999144 0.999852 1 Si Si47 1 0.666467 0.999295 0.334369 1 Si Si48 1 0.665472 0.999938 0.666531 1 Si Si49 1 0.666675 0.333608 0.999757 1 Si Si50 1 0.666562 0.333450 0.334138 1 Si Si51 1 0.666689 0.333568 0.665017 1 Si Si52 1 0.666265 0.668350 0.999928 1 Si Si53 1 0.665622 0.666770 0.333398 1 Si Si54 1 0.666077 0.666769 0.666623 1 Si Si55 1 0.249492 0.084880 0.248493 1 Si Si56 1 0.249146 0.083595 0.583861 1 Si Si57 1 0.247452 0.095035 0.928405 1 Si Si58 1 0.246541 0.407614 0.240951 1 Si Si59 1 0.249355 0.416480 0.583271 1 Si Si60 1 0.249503 0.415157 0.918223 1 Si Si61 1 0.249454 0.749873 0.249849 1 Si Si62 1 0.248953 0.750153 0.583471 1 Si Si63 1 0.249135 0.750491 0.916962 1 Si Si64 1 0.584184 0.082647 0.250917 1 Si Si65 1 0.581605 0.083325 0.583888 1 Si Si66 1 0.584080 0.082839 0.916200 1 Si Si67 1 0.584070 0.417220 0.250555 1 Si Si68 1 0.581874 0.416667 0.582864 1 Si Si69 1 0.584233 0.417478 0.916096 1 Si Si70 1 0.581877 0.749526 0.250004 1 Si Si71 1 0.582454 0.750040 0.583411 1 Si Si72 1 0.581629 0.750545 0.916646 1 Si Si73 1 0.913704 0.082498 0.250986 1 Si Si74 1 0.916691 0.083327 0.583349 1 Si Si75 1 0.914642 0.082954 0.916296 1 Si Si76 1 0.914775 0.417044 0.250377 1 Si Si77 1 0.916676 0.416668 0.583329 1 Si Si78 1 0.913705 0.417649 0.915845 1 Si Si79 1 0.916674 0.749994 0.250001 1 Si Si80 1 0.916554 0.750011 0.583341 1 Si Si81 1 0.916694 0.750016 0.916660 1 Si Si82 1 0.995874 0.165480 0.168135 1 Si Si83 1 0.999911 0.166701 0.499873 1 Si Si84 1 0.996049 0.166380 0.831267 1 Si Si85 1 0.996264 0.501927 0.166846 1 Si Si86 1 0.000120 0.499976 0.499832 1 Si Si87 1 0.999405 0.499797 0.833589 1 Si Si88 1 0.999919 0.833444 0.166615 1 Si Si89 1 0.999992 0.833273 0.500108 1 Si Si90 1 0.000278 0.833710 0.833484 1 Si Si91 1 0.347701 0.159773 0.173178 1 Si Si92 1 0.332255 0.166677 0.499873 1 Si Si93 1 0.332355 0.168726 0.836593 1 Si Si94 1 0.331919 0.497582 0.165576 1 Si Si95 1 0.332282 0.499430 0.499104 1 Si Si96 1 0.332473 0.498889 0.834152 1 Si Si97 1 0.332659 0.833715 0.166732 1 Si Si98 1 0.332548 0.833319 0.500138 1 Si Si99 1 0.332250 0.834573 0.834052 1 Si Si100 1 0.666709 0.166272 0.167138 1 Si Si101 1 0.666263 0.166595 0.501687 1 Si Si102 1 0.666640 0.166496 0.832495 1 Si Si103 1 0.666560 0.500792 0.166776 1 Si Si104 1 0.665622 0.500062 0.500103 1 Si Si105 1 0.666463 0.500947 0.832681 1 Si Si106 1 0.666696 0.831675 0.166915 1 Si Si107 1 0.666071 0.833263 0.500113 1 Si Si108 1 0.665500 0.833199 0.833269 1 Si Si109 1 0.077046 0.249346 0.252657 1 Si Si110 1 0.083321 0.250000 0.583338 1 Si Si111 1 0.076422 0.251049 0.913677 1 Si Si112 1 0.082572 0.582542 0.249443 1 Si Si113 1 0.083319 0.583327 0.583328 1 Si Si114 1 0.083342 0.582592 0.916896 1 Si Si115 1 0.083298 0.917373 0.249809 1 Si Si116 1 0.083287 0.916703 0.583384 1 Si Si117 1 0.082820 0.917832 0.917076 1 Si Si118 1 0.422088 0.250678 0.253719 1 Si Si119 1 0.415406 0.249943 0.583449 1 Si Si120 1 0.423346 0.250450 0.912526 1 Si Si121 1 0.414987 0.581803 0.249238 1 Si Si122 1 0.415349 0.583299 0.582831 1 Si Si123 1 0.415805 0.583140 0.916776 1 Si Si124 1 0.416626 0.916663 0.249998 1 Si Si125 1 0.415293 0.916906 0.584046 1 Si Si126 1 0.414655 0.918555 0.917748 1 Si Si127 1 0.749228 0.250001 0.250570 1 Si Si128 1 0.749969 0.250005 0.583320 1 Si Si129 1 0.749186 0.249982 0.916114 1 Si Si130 1 0.749545 0.584049 0.250294 1 Si Si131 1 0.749535 0.583357 0.583250 1 Si Si132 1 0.748918 0.584690 0.916323 1 Si Si133 1 0.748993 0.915715 0.250485 1 Si Si134 1 0.749502 0.916675 0.583448 1 Si Si135 1 0.749499 0.915866 0.916300 1 Si Si136 1 0.165571 0.001283 0.165728 1 Si Si137 1 0.166422 0.000150 0.499895 1 Si Si138 1 0.167045 0.006155 0.839491 1 Si Si139 1 0.152691 0.325571 0.158966 1 Si Si140 1 0.166246 0.333203 0.499466 1 Si Si141 1 0.165581 0.332338 0.834685 1 Si Si142 1 0.166272 0.666139 0.166535 1 Si Si143 1 0.166559 0.665502 0.498835 1 Si Si144 1 0.166393 0.666529 0.833513 1 Si Si145 1 0.503959 0.996665 0.167547 1 Si Si146 1 0.498539 0.999934 0.500210 1 Si Si147 1 0.498949 0.000432 0.833816 1 Si Si148 1 0.502201 0.333531 0.166949 1 Si Si149 1 0.498462 0.333105 0.499530 1 Si Si150 1 0.503956 0.334219 0.830045 1 Si Si151 1 0.498484 0.666164 0.166453 1 Si Si152 1 0.499094 0.666577 0.499985 1 Si Si153 1 0.498556 0.666862 0.833260 1 Si Si154 1 0.831624 0.998994 0.166963 1 Si Si155 1 0.833286 0.999895 0.500282 1 Si Si156 1 0.832280 0.999471 0.832804 1 Si Si157 1 0.832062 0.333420 0.166770 1 Si Si158 1 0.832640 0.333337 0.500678 1 Si Si159 1 0.831618 0.333617 0.832351 1 Si Si160 1 0.832632 0.667335 0.166680 1 Si Si161 1 0.833132 0.666630 0.499960 1 Si Si162 1 0.833299 0.666928 0.833237 1 Si Si163 1 0.076382 0.080249 0.084456 1 Si Si164 1 0.083360 0.083523 0.415963 1 Si Si165 1 0.082823 0.083743 0.751172 1 Si Si166 1 0.077074 0.419279 0.082690 1 Si Si167 1 0.082577 0.416148 0.415863 1 Si Si168 1 0.083260 0.416408 0.750812 1 Si Si169 1 0.083320 0.750005 0.083333 1 Si Si170 1 0.083319 0.749992 0.416661 1 Si Si171 1 0.083290 0.750045 0.750034 1 Si Si172 1 0.423334 0.079141 0.083786 1 Si Si173 1 0.415751 0.083451 0.416521 1 Si Si174 1 0.414673 0.084359 0.751948 1 Si Si175 1 0.422089 0.420298 0.084052 1 Si Si176 1 0.414971 0.415901 0.415170 1 Si Si177 1 0.416627 0.416663 0.749999 1 Si Si178 1 0.415429 0.750058 0.083296 1 Si Si179 1 0.415409 0.749448 0.416667 1 Si Si180 1 0.415286 0.750694 0.750237 1 Si Si181 1 0.749178 0.082759 0.083360 1 Si Si182 1 0.748919 0.082993 0.418044 1 Si Si183 1 0.749476 0.082957 0.749203 1 Si Si184 1 0.749222 0.417199 0.083351 1 Si Si185 1 0.749559 0.416957 0.417396 1 Si Si186 1 0.748999 0.417139 0.749046 1 Si Si187 1 0.749965 0.749984 0.083339 1 Si Si188 1 0.749539 0.749915 0.416685 1 Si Si189 1 0.749540 0.750106 0.750011 1 Si Si190 1 0.150433 0.175724 0.009178 1 Si Si191 1 0.165563 0.167676 0.331980 1 Si Si192 1 0.166137 0.166965 0.667538 1 Si Si193 1 0.165570 0.498629 0.001030 1 Si Si194 1 0.166382 0.494806 0.328111 1 Si Si195 1 0.166293 0.499832 0.666894 1 Si Si196 1 0.166118 0.834188 0.000300 1 Si Si197 1 0.166383 0.833481 0.333203 1 Si Si198 1 0.166563 0.834811 0.668145 1 Si Si199 1 0.501936 0.166448 0.999824 1 Si Si200 1 0.502635 0.166084 0.335934 1 Si Si201 1 0.498331 0.166824 0.667373 1 Si Si202 1 0.502640 0.502534 0.999460 1 Si Si203 1 0.499066 0.499625 0.332973 1 Si Si204 1 0.498849 0.500258 0.666310 1 Si Si205 1 0.498348 0.833989 0.000176 1 Si Si206 1 0.498846 0.832966 0.333597 1 Si Si207 1 0.498990 0.833441 0.666779 1 Si Si208 1 0.831936 0.166547 0.999911 1 Si Si209 1 0.831482 0.166348 0.334498 1 Si Si210 1 0.832510 0.166574 0.665872 1 Si Si211 1 0.831467 0.501132 0.999698 1 Si Si212 1 0.832395 0.500447 0.333780 1 Si Si213 1 0.833270 0.500106 0.666471 1 Si Si214 1 0.832516 0.832522 0.999919 1 Si Si215 1 0.833274 0.833139 0.333438 1 Si Si216 1 0.833109 0.833396 0.666719 1 C C217 1 0.184373 0.250485 0.083973 1