# 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 0.253855 0.251677 0.081867 1 Si Si2 1 0.253621 0.250247 0.418528 1 Si Si3 1 0.250019 0.250172 0.750108 1 Si Si4 1 0.249894 0.583312 0.083184 1 Si Si5 1 0.249729 0.582977 0.416456 1 Si Si6 1 0.250065 0.583867 0.749686 1 Si Si7 1 0.253641 0.914751 0.083061 1 Si Si8 1 0.250597 0.916969 0.416459 1 Si Si9 1 0.249465 0.917037 0.750571 1 Si Si10 1 0.582969 0.250540 0.082782 1 Si Si11 1 0.583124 0.250195 0.417225 1 Si Si12 1 0.583237 0.250439 0.748137 1 Si Si13 1 0.583622 0.584921 0.082962 1 Si Si14 1 0.584202 0.583452 0.416502 1 Si Si15 1 0.583889 0.583618 0.749842 1 Si Si16 1 0.583020 0.916078 0.083073 1 Si Si17 1 0.583191 0.915957 0.417519 1 Si Si18 1 0.584229 0.916868 0.749857 1 Si Si19 1 0.902145 0.256308 0.076020 1 Si Si20 1 0.917927 0.248904 0.413886 1 Si Si21 1 0.917369 0.250143 0.750037 1 Si Si22 1 0.917394 0.583272 0.083195 1 Si Si23 1 0.917534 0.582503 0.415928 1 Si Si24 1 0.917418 0.583491 0.749901 1 Si Si25 1 0.917422 0.919846 0.085173 1 Si Si26 1 0.917292 0.917597 0.415563 1 Si Si27 1 0.917519 0.917510 0.751026 1 Si Si28 1 0.002037 0.011789 0.011457 1 Si Si29 1 0.000222 0.001610 0.331751 1 Si Si30 1 0.000533 0.000417 0.666870 1 Si Si31 1 0.000218 0.331988 0.001344 1 Si Si32 1 0.003278 0.324398 0.324068 1 Si Si33 1 0.000607 0.333371 0.666339 1 Si Si34 1 0.000546 0.667251 0.000095 1 Si Si35 1 0.000586 0.666682 0.333065 1 Si Si36 1 0.000808 0.666960 0.666672 1 Si Si37 1 0.334825 0.999856 0.999539 1 Si Si38 1 0.336065 0.999241 0.334225 1 Si Si39 1 0.332810 0.000174 0.666803 1 Si Si40 1 0.336100 0.334594 0.998925 1 Si Si41 1 0.334814 0.333850 0.333503 1 Si Si42 1 0.332997 0.333550 0.666398 1 Si Si43 1 0.332794 0.667085 0.999794 1 Si Si44 1 0.332985 0.666661 0.333232 1 Si Si45 1 0.333894 0.666932 0.666574 1 Si Si46 1 0.665623 0.999711 0.999380 1 Si Si47 1 0.665380 0.999307 0.333991 1 Si Si48 1 0.668053 0.000121 0.667139 1 Si Si49 1 0.665421 0.334279 0.998978 1 Si Si50 1 0.665666 0.334039 0.333749 1 Si Si51 1 0.667953 0.333475 0.665848 1 Si Si52 1 0.668057 0.667436 0.999802 1 Si Si53 1 0.667948 0.666167 0.333164 1 Si Si54 1 0.667376 0.666886 0.666564 1 Si Si55 1 0.253842 0.082212 0.251316 1 Si Si56 1 0.249967 0.083592 0.582988 1 Si Si57 1 0.253669 0.083353 0.914398 1 Si Si58 1 0.253612 0.418874 0.249904 1 Si Si59 1 0.249769 0.416770 0.582684 1 Si Si60 1 0.250651 0.416825 0.916631 1 Si Si61 1 0.250039 0.750372 0.249784 1 Si Si62 1 0.250055 0.750063 0.583561 1 Si Si63 1 0.249489 0.750938 0.916688 1 Si Si64 1 0.582948 0.083109 0.250237 1 Si Si65 1 0.583644 0.083273 0.584595 1 Si Si66 1 0.583021 0.083390 0.915745 1 Si Si67 1 0.583172 0.417501 0.249881 1 Si Si68 1 0.584207 0.416794 0.583107 1 Si Si69 1 0.583214 0.417806 0.915656 1 Si Si70 1 0.583227 0.748456 0.250133 1 Si Si71 1 0.583892 0.750158 0.583293 1 Si Si72 1 0.584261 0.750193 0.916575 1 Si Si73 1 0.902163 0.076292 0.256116 1 Si Si74 1 0.917371 0.083533 0.582905 1 Si Si75 1 0.917423 0.085469 0.919508 1 Si Si76 1 0.917920 0.414207 0.248561 1 Si Si77 1 0.917526 0.416228 0.582188 1 Si Si78 1 0.917326 0.415839 0.917345 1 Si Si79 1 0.917333 0.750370 0.249826 1 Si Si80 1 0.917382 0.750155 0.583228 1 Si Si81 1 0.917485 0.751354 0.917173 1 Si Si82 1 0.958844 0.157780 0.157528 1 Si Si83 1 0.000460 0.166610 0.499003 1 Si Si84 1 0.000329 0.166989 0.833890 1 Si Si85 1 0.000446 0.499340 0.166277 1 Si Si86 1 0.001352 0.497273 0.496965 1 Si Si87 1 0.000245 0.499781 0.833549 1 Si Si88 1 0.000313 0.834225 0.166678 1 Si Si89 1 0.000191 0.833806 0.499492 1 Si Si90 1 0.001437 0.836830 0.836514 1 Si Si91 1 0.334711 0.166788 0.166437 1 Si Si92 1 0.335304 0.166494 0.501267 1 Si Si93 1 0.335338 0.167149 0.831691 1 Si Si94 1 0.335267 0.501644 0.166158 1 Si Si95 1 0.333531 0.500159 0.499835 1 Si Si96 1 0.333426 0.500506 0.832975 1 Si Si97 1 0.335331 0.832019 0.166803 1 Si Si98 1 0.333381 0.833344 0.500167 1 Si Si99 1 0.333318 0.833605 0.833244 1 Si Si100 1 0.665154 0.166715 0.166408 1 Si Si101 1 0.665459 0.166844 0.501435 1 Si Si102 1 0.664828 0.166606 0.830803 1 Si Si103 1 0.665446 0.501775 0.166531 1 Si Si104 1 0.667561 0.499998 0.499673 1 Si Si105 1 0.667714 0.500487 0.832845 1 Si Si106 1 0.664827 0.831159 0.166315 1 Si Si107 1 0.667716 0.833169 0.500192 1 Si Si108 1 0.667597 0.833705 0.833368 1 Si Si109 1 0.097597 0.242621 0.242294 1 Si Si110 1 0.083717 0.249970 0.582637 1 Si Si111 1 0.084118 0.249277 0.917639 1 Si Si112 1 0.083694 0.582957 0.249667 1 Si Si113 1 0.083407 0.582387 0.582071 1 Si Si114 1 0.083652 0.583447 0.916780 1 Si Si115 1 0.084098 0.917957 0.248972 1 Si Si116 1 0.083612 0.917083 0.583071 1 Si Si117 1 0.082713 0.923034 0.922709 1 Si Si118 1 0.417517 0.250255 0.249890 1 Si Si119 1 0.417316 0.250188 0.584019 1 Si Si120 1 0.418134 0.250563 0.915415 1 Si Si121 1 0.417350 0.584309 0.249879 1 Si Si122 1 0.417157 0.583449 0.583108 1 Si Si123 1 0.416513 0.584107 0.916459 1 Si Si124 1 0.418137 0.915752 0.250207 1 Si Si125 1 0.416450 0.916817 0.583807 1 Si Si126 1 0.417399 0.916489 0.916187 1 Si Si127 1 0.747496 0.250326 0.250038 1 Si Si128 1 0.751271 0.249921 0.582448 1 Si Si129 1 0.745923 0.251000 0.913012 1 Si Si130 1 0.751289 0.582807 0.249567 1 Si Si131 1 0.750748 0.583394 0.583145 1 Si Si132 1 0.751121 0.583777 0.916421 1 Si Si133 1 0.745921 0.913336 0.250750 1 Si Si134 1 0.751124 0.916719 0.583502 1 Si Si135 1 0.750814 0.917312 0.916953 1 Si Si136 1 0.173129 0.997050 0.167719 1 Si Si137 1 0.166576 0.000393 0.499084 1 Si Si138 1 0.166885 0.000695 0.834434 1 Si Si139 1 0.172819 0.336331 0.165714 1 Si Si140 1 0.167243 0.332903 0.498920 1 Si Si141 1 0.166674 0.333355 0.833947 1 Si Si142 1 0.166732 0.666901 0.166519 1 Si Si143 1 0.166894 0.666714 0.499871 1 Si Si144 1 0.166760 0.667126 0.833333 1 Si Si145 1 0.500371 0.999679 0.166519 1 Si Si146 1 0.500769 0.999715 0.501175 1 Si Si147 1 0.500180 0.999871 0.832529 1 Si Si148 1 0.500390 0.334000 0.166470 1 Si Si149 1 0.500191 0.333705 0.500439 1 Si Si150 1 0.500750 0.334015 0.831964 1 Si Si151 1 0.500226 0.666652 0.166489 1 Si Si152 1 0.500582 0.666742 0.499835 1 Si Si153 1 0.500532 0.667014 0.833280 1 Si Si154 1 0.826353 0.995817 0.166706 1 Si Si155 1 0.833799 0.000211 0.499701 1 Si Si156 1 0.835079 0.001147 0.834976 1 Si Si157 1 0.827677 0.336910 0.167081 1 Si Si158 1 0.834935 0.332682 0.498125 1 Si Si159 1 0.833571 0.333405 0.833035 1 Si Si160 1 0.834226 0.666885 0.166452 1 Si Si161 1 0.834431 0.666209 0.499781 1 Si Si162 1 0.834504 0.667476 0.833360 1 Si Si163 1 0.099142 0.092676 0.092296 1 Si Si164 1 0.084163 0.084443 0.415197 1 Si Si165 1 0.083704 0.083734 0.750540 1 Si Si166 1 0.084132 0.415489 0.084140 1 Si Si167 1 0.083400 0.411633 0.411338 1 Si Si168 1 0.083770 0.416711 0.749960 1 Si Si169 1 0.083716 0.750898 0.083419 1 Si Si170 1 0.083751 0.750304 0.416388 1 Si Si171 1 0.083291 0.751653 0.751349 1 Si Si172 1 0.417600 0.083424 0.083057 1 Si Si173 1 0.418243 0.083146 0.417655 1 Si Si174 1 0.417435 0.083487 0.748880 1 Si Si175 1 0.418248 0.418033 0.082851 1 Si Si176 1 0.417439 0.417146 0.416797 1 Si Si177 1 0.416561 0.417069 0.749342 1 Si Si178 1 0.417386 0.749174 0.083137 1 Si Si179 1 0.416496 0.749667 0.416749 1 Si Si180 1 0.417113 0.750388 0.750048 1 Si Si181 1 0.747724 0.083274 0.082999 1 Si Si182 1 0.747069 0.082721 0.418857 1 Si Si183 1 0.751353 0.083688 0.750489 1 Si Si184 1 0.747063 0.419158 0.082439 1 Si Si185 1 0.750793 0.416452 0.416089 1 Si Si186 1 0.751023 0.416947 0.749433 1 Si Si187 1 0.751325 0.750853 0.083327 1 Si Si188 1 0.750999 0.749732 0.416672 1 Si Si189 1 0.750784 0.750281 0.750006 1 Si Si190 1 0.173200 0.168053 0.996682 1 Si Si191 1 0.172815 0.166041 0.336024 1 Si Si192 1 0.166757 0.166861 0.666611 1 Si Si193 1 0.166542 0.499366 0.000047 1 Si Si194 1 0.167206 0.499218 0.332582 1 Si Si195 1 0.166898 0.500181 0.666379 1 Si Si196 1 0.166912 0.834781 0.000368 1 Si Si197 1 0.166675 0.834237 0.332971 1 Si Si198 1 0.166720 0.833656 0.666801 1 Si Si199 1 0.500380 0.166873 0.999301 1 Si Si200 1 0.500365 0.166824 0.333637 1 Si Si201 1 0.500259 0.166816 0.666309 1 Si Si202 1 0.500789 0.501479 0.999382 1 Si Si203 1 0.500256 0.500740 0.333382 1 Si Si204 1 0.500614 0.500170 0.666388 1 Si Si205 1 0.500175 0.832836 0.999580 1 Si Si206 1 0.500728 0.832288 0.333694 1 Si Si207 1 0.500504 0.833607 0.666655 1 Si Si208 1 0.826336 0.166961 0.995512 1 Si Si209 1 0.827676 0.167387 0.336618 1 Si Si210 1 0.834235 0.166830 0.666507 1 Si Si211 1 0.833816 0.499993 0.999937 1 Si Si212 1 0.834955 0.498474 0.332321 1 Si Si213 1 0.834472 0.500063 0.665955 1 Si Si214 1 0.835074 0.835345 0.000798 1 Si Si215 1 0.833532 0.833317 0.333118 1 Si Si216 1 0.834503 0.833657 0.667218 1 C C217 1 0.065863 0.167554 0.167243 1