# generated using pymatgen data_Si215C _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 Si215C _chemical_formula_sum 'Si215 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 0.249934 0.249990 0.416117 1 Si Si2 1 0.249955 0.249967 0.750540 1 Si Si3 1 0.249963 0.582760 0.083335 1 Si Si4 1 0.249920 0.581551 0.414888 1 Si Si5 1 0.250003 0.581619 0.751787 1 Si Si6 1 0.250040 0.917291 0.083329 1 Si Si7 1 0.250081 0.918379 0.414830 1 Si Si8 1 0.249957 0.918419 0.751736 1 Si Si9 1 0.582764 0.250024 0.083299 1 Si Si10 1 0.581585 0.249979 0.414938 1 Si Si11 1 0.581544 0.250030 0.751742 1 Si Si12 1 0.581479 0.581623 0.083180 1 Si Si13 1 0.583208 0.583278 0.416661 1 Si Si14 1 0.583086 0.583275 0.750169 1 Si Si15 1 0.581612 0.918529 0.083395 1 Si Si16 1 0.583286 0.916800 0.416428 1 Si Si17 1 0.583439 0.916681 0.749803 1 Si Si18 1 0.917195 0.250012 0.083343 1 Si Si19 1 0.918400 0.250086 0.414887 1 Si Si20 1 0.918474 0.249915 0.751790 1 Si Si21 1 0.918375 0.581603 0.083387 1 Si Si22 1 0.916626 0.583141 0.416555 1 Si Si23 1 0.916512 0.583360 0.750013 1 Si Si24 1 0.918441 0.918401 0.083234 1 Si Si25 1 0.916686 0.916491 0.416603 1 Si Si26 1 0.916851 0.916738 0.749992 1 Si Si27 1 0.003028 0.003036 0.000317 1 Si Si28 1 0.999941 0.999844 0.333279 1 Si Si29 1 0.000410 0.000267 0.666968 1 Si Si30 1 0.000454 0.333471 0.999905 1 Si Si31 1 0.002978 0.333038 0.330289 1 Si Si32 1 0.000267 0.333189 0.666880 1 Si Si33 1 0.000215 0.666464 0.000078 1 Si Si34 1 0.000208 0.666251 0.333044 1 Si Si35 1 0.000119 0.666703 0.666651 1 Si Si36 1 0.333517 0.000523 0.999867 1 Si Si37 1 0.333028 0.003054 0.330314 1 Si Si38 1 0.333226 0.000193 0.666764 1 Si Si39 1 0.321151 0.321150 0.012136 1 Si Si40 1 0.333432 0.333430 0.332917 1 Si Si41 1 0.333072 0.333242 0.666902 1 Si Si42 1 0.333118 0.666511 0.000186 1 Si Si43 1 0.333195 0.666414 0.333011 1 Si Si44 1 0.333054 0.665864 0.667514 1 Si Si45 1 0.666482 0.000323 0.000032 1 Si Si46 1 0.666396 0.000372 0.332980 1 Si Si47 1 0.666779 0.000255 0.666498 1 Si Si48 1 0.666361 0.333218 0.000079 1 Si Si49 1 0.666412 0.333275 0.333092 1 Si Si50 1 0.665878 0.333035 0.667545 1 Si Si51 1 0.665733 0.665948 0.000223 1 Si Si52 1 0.666561 0.666613 0.333059 1 Si Si53 1 0.666440 0.666649 0.666726 1 Si Si54 1 0.249549 0.087891 0.245464 1 Si Si55 1 0.250031 0.083514 0.583234 1 Si Si56 1 0.250486 0.087895 0.921190 1 Si Si57 1 0.250450 0.412121 0.245478 1 Si Si58 1 0.249846 0.416542 0.583379 1 Si Si59 1 0.249525 0.412127 0.921204 1 Si Si60 1 0.250011 0.749967 0.249717 1 Si Si61 1 0.250077 0.749939 0.583255 1 Si Si62 1 0.249957 0.750091 0.916899 1 Si Si63 1 0.582665 0.083788 0.249613 1 Si Si64 1 0.583196 0.083646 0.583107 1 Si Si65 1 0.583223 0.083448 0.916578 1 Si Si66 1 0.583090 0.416649 0.249964 1 Si Si67 1 0.583143 0.416407 0.583558 1 Si Si68 1 0.582524 0.416297 0.916982 1 Si Si69 1 0.583120 0.750110 0.249634 1 Si Si70 1 0.583167 0.750047 0.583221 1 Si Si71 1 0.583109 0.750052 0.916875 1 Si Si72 1 0.916862 0.083343 0.249905 1 Si Si73 1 0.916988 0.083575 0.583402 1 Si Si74 1 0.917430 0.083740 0.917017 1 Si Si75 1 0.917311 0.416282 0.249590 1 Si Si76 1 0.916831 0.416350 0.583256 1 Si Si77 1 0.916824 0.416694 0.916784 1 Si Si78 1 0.916777 0.749806 0.249686 1 Si Si79 1 0.916735 0.749981 0.583186 1 Si Si80 1 0.916792 0.750145 0.916932 1 Si Si81 1 0.000463 0.166556 0.166773 1 Si Si82 1 0.000277 0.166777 0.499718 1 Si Si83 1 0.003094 0.166978 0.836336 1 Si Si84 1 0.002960 0.496985 0.166333 1 Si Si85 1 0.000212 0.499681 0.499643 1 Si Si86 1 0.999897 0.500058 0.833311 1 Si Si87 1 0.000204 0.833448 0.166511 1 Si Si88 1 0.000292 0.833256 0.499981 1 Si Si89 1 0.000297 0.833696 0.833636 1 Si Si90 1 0.321184 0.178854 0.154509 1 Si Si91 1 0.333205 0.166860 0.499752 1 Si Si92 1 0.333491 0.166489 0.833701 1 Si Si93 1 0.333434 0.499507 0.166766 1 Si Si94 1 0.333167 0.499745 0.499832 1 Si Si95 1 0.332955 0.497037 0.836370 1 Si Si96 1 0.333200 0.833635 0.166529 1 Si Si97 1 0.333082 0.834111 0.499078 1 Si Si98 1 0.333242 0.833606 0.833621 1 Si Si99 1 0.666462 0.166871 0.166470 1 Si Si100 1 0.665950 0.166974 0.499139 1 Si Si101 1 0.666549 0.166811 0.833493 1 Si Si102 1 0.666342 0.499770 0.166496 1 Si Si103 1 0.666622 0.499807 0.500074 1 Si Si104 1 0.666247 0.499725 0.833608 1 Si Si105 1 0.665848 0.834226 0.166387 1 Si Si106 1 0.666619 0.833414 0.499867 1 Si Si107 1 0.666729 0.833388 0.833449 1 Si Si108 1 0.087849 0.249554 0.245468 1 Si Si109 1 0.083570 0.249996 0.583277 1 Si Si110 1 0.087872 0.250473 0.921233 1 Si Si111 1 0.083665 0.582611 0.249609 1 Si Si112 1 0.083500 0.583191 0.583195 1 Si Si113 1 0.083328 0.583167 0.916681 1 Si Si114 1 0.083363 0.916762 0.249848 1 Si Si115 1 0.083712 0.916792 0.583395 1 Si Si116 1 0.083724 0.917438 0.917041 1 Si Si117 1 0.412120 0.250474 0.245475 1 Si Si118 1 0.416398 0.250047 0.583388 1 Si Si119 1 0.412101 0.249529 0.921159 1 Si Si120 1 0.416612 0.583132 0.249902 1 Si Si121 1 0.416343 0.583166 0.583457 1 Si Si122 1 0.416194 0.582687 0.917078 1 Si Si123 1 0.416320 0.917450 0.249607 1 Si Si124 1 0.416426 0.916842 0.583096 1 Si Si125 1 0.416713 0.916939 0.916671 1 Si Si126 1 0.749952 0.250101 0.249770 1 Si Si127 1 0.750059 0.249937 0.583439 1 Si Si128 1 0.749991 0.250039 0.916870 1 Si Si129 1 0.750009 0.583091 0.249683 1 Si Si130 1 0.749870 0.583258 0.583432 1 Si Si131 1 0.749762 0.583219 0.916912 1 Si Si132 1 0.749939 0.916899 0.249691 1 Si Si133 1 0.750086 0.916800 0.583176 1 Si Si134 1 0.750148 0.916930 0.916870 1 Si Si135 1 0.166545 0.000473 0.166783 1 Si Si136 1 0.166796 0.000211 0.499706 1 Si Si137 1 0.167034 0.003021 0.836335 1 Si Si138 1 0.178840 0.321168 0.154523 1 Si Si139 1 0.166771 0.333240 0.499749 1 Si Si140 1 0.166520 0.333458 0.833784 1 Si Si141 1 0.166775 0.666418 0.166491 1 Si Si142 1 0.166935 0.665818 0.499165 1 Si Si143 1 0.166747 0.666523 0.833610 1 Si Si144 1 0.497026 0.003096 0.166354 1 Si Si145 1 0.499760 0.000289 0.499542 1 Si Si146 1 0.500146 0.999957 0.833195 1 Si Si147 1 0.499521 0.333464 0.166780 1 Si Si148 1 0.499774 0.333223 0.499891 1 Si Si149 1 0.496926 0.333005 0.836301 1 Si Si150 1 0.499690 0.666488 0.166497 1 Si Si151 1 0.499722 0.666689 0.499973 1 Si Si152 1 0.499630 0.666413 0.833690 1 Si Si153 1 0.833559 0.000262 0.166482 1 Si Si154 1 0.833444 0.000219 0.499928 1 Si Si155 1 0.833783 0.000290 0.833555 1 Si Si156 1 0.833482 0.333240 0.166438 1 Si Si157 1 0.834118 0.333012 0.499233 1 Si Si158 1 0.833602 0.333236 0.833636 1 Si Si159 1 0.834029 0.665845 0.166330 1 Si Si160 1 0.833277 0.666569 0.499922 1 Si Si161 1 0.833205 0.666756 0.833530 1 Si Si162 1 0.087891 0.087891 0.083768 1 Si Si163 1 0.083313 0.083266 0.416420 1 Si Si164 1 0.083780 0.083714 0.750685 1 Si Si165 1 0.087863 0.412137 0.082912 1 Si Si166 1 0.083648 0.416319 0.415931 1 Si Si167 1 0.083299 0.416650 0.750198 1 Si Si168 1 0.083548 0.749982 0.083281 1 Si Si169 1 0.083623 0.749815 0.416402 1 Si Si170 1 0.083581 0.750142 0.750174 1 Si Si171 1 0.412176 0.087932 0.082881 1 Si Si172 1 0.416306 0.083768 0.415925 1 Si Si173 1 0.416670 0.083252 0.750085 1 Si Si174 1 0.412102 0.412106 0.083757 1 Si Si175 1 0.416569 0.416559 0.416589 1 Si Si176 1 0.416193 0.416298 0.750734 1 Si Si177 1 0.416427 0.750106 0.083304 1 Si Si178 1 0.416406 0.750087 0.416355 1 Si Si179 1 0.416363 0.749957 0.750200 1 Si Si180 1 0.750026 0.083592 0.083270 1 Si Si181 1 0.750014 0.083645 0.416422 1 Si Si182 1 0.750197 0.083588 0.750133 1 Si Si183 1 0.749881 0.416499 0.083247 1 Si Si184 1 0.750046 0.416381 0.416575 1 Si Si185 1 0.749897 0.416370 0.750267 1 Si Si186 1 0.749883 0.750072 0.083288 1 Si Si187 1 0.749860 0.749887 0.416487 1 Si Si188 1 0.749942 0.750048 0.749964 1 Si Si189 1 0.178847 0.178847 0.012157 1 Si Si190 1 0.166498 0.166507 0.332878 1 Si Si191 1 0.166851 0.166785 0.666804 1 Si Si192 1 0.166503 0.499548 0.999865 1 Si Si193 1 0.166951 0.496985 0.330299 1 Si Si194 1 0.166654 0.499839 0.666907 1 Si Si195 1 0.166801 0.833640 0.000190 1 Si Si196 1 0.166783 0.833489 0.332998 1 Si Si197 1 0.167014 0.834083 0.667450 1 Si Si198 1 0.499566 0.166561 0.999803 1 Si Si199 1 0.497018 0.167042 0.330320 1 Si Si200 1 0.499751 0.166740 0.666805 1 Si Si201 1 0.496907 0.496998 0.000273 1 Si Si202 1 0.499915 0.499963 0.333381 1 Si Si203 1 0.499625 0.499719 0.667049 1 Si Si204 1 0.499771 0.833653 0.000123 1 Si Si205 1 0.499725 0.833691 0.332956 1 Si Si206 1 0.499762 0.833326 0.666577 1 Si Si207 1 0.833588 0.166854 0.000097 1 Si Si208 1 0.833566 0.166827 0.332984 1 Si Si209 1 0.834267 0.166888 0.667483 1 Si Si210 1 0.833450 0.499828 0.000083 1 Si Si211 1 0.833564 0.499631 0.333017 1 Si Si212 1 0.833244 0.499758 0.666651 1 Si Si213 1 0.834109 0.834178 0.000254 1 Si Si214 1 0.833245 0.833217 0.333091 1 Si Si215 1 0.833400 0.833389 0.666601 1 C C216 1 0.250009 0.250012 0.083336 1