# 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 0.254281 0.251611 0.081780 1 Si Si2 1 0.253495 0.250659 0.418508 1 Si Si3 1 0.249873 0.250230 0.749716 1 Si Si4 1 0.249872 0.583657 0.083142 1 Si Si5 1 0.249541 0.582971 0.416648 1 Si Si6 1 0.249752 0.583869 0.749526 1 Si Si7 1 0.253449 0.914861 0.082764 1 Si Si8 1 0.250537 0.916843 0.416509 1 Si Si9 1 0.249465 0.916782 0.750394 1 Si Si10 1 0.582733 0.250727 0.082566 1 Si Si11 1 0.582982 0.250280 0.417336 1 Si Si12 1 0.583236 0.250551 0.748244 1 Si Si13 1 0.583288 0.585008 0.082849 1 Si Si14 1 0.584177 0.583655 0.416699 1 Si Si15 1 0.583716 0.583665 0.749703 1 Si Si16 1 0.582938 0.915953 0.083041 1 Si Si17 1 0.583156 0.915753 0.417609 1 Si Si18 1 0.584101 0.916630 0.749655 1 Si Si19 1 0.902230 0.257146 0.075932 1 Si Si20 1 0.917433 0.248684 0.414273 1 Si Si21 1 0.917071 0.250282 0.749783 1 Si Si22 1 0.917094 0.583532 0.083052 1 Si Si23 1 0.917412 0.582596 0.415920 1 Si Si24 1 0.917340 0.583519 0.749799 1 Si Si25 1 0.917328 0.918975 0.084647 1 Si Si26 1 0.917340 0.917346 0.415956 1 Si Si27 1 0.917363 0.917407 0.750673 1 Si Si28 1 0.002530 0.009446 0.009148 1 Si Si29 1 0.000946 0.001135 0.332170 1 Si Si30 1 0.000733 0.000382 0.666703 1 Si Si31 1 0.000994 0.332484 0.000830 1 Si Si32 1 0.002696 0.324357 0.324035 1 Si Si33 1 0.000769 0.333410 0.666274 1 Si Si34 1 0.000741 0.667081 0.999930 1 Si Si35 1 0.000745 0.666651 0.333021 1 Si Si36 1 0.000801 0.666895 0.666564 1 Si Si37 1 0.335441 0.999580 0.999240 1 Si Si38 1 0.336731 0.998804 0.334494 1 Si Si39 1 0.333007 0.000061 0.666797 1 Si Si40 1 0.336668 0.334968 0.998461 1 Si Si41 1 0.335483 0.334189 0.333785 1 Si Si42 1 0.333162 0.333748 0.666211 1 Si Si43 1 0.333093 0.667168 0.999572 1 Si Si44 1 0.333093 0.666587 0.333398 1 Si Si45 1 0.333857 0.666949 0.666509 1 Si Si46 1 0.665611 0.999358 0.998980 1 Si Si47 1 0.665618 0.999281 0.334052 1 Si Si48 1 0.668177 0.999880 0.666999 1 Si Si49 1 0.665722 0.334315 0.998932 1 Si Si50 1 0.665735 0.334251 0.333931 1 Si Si51 1 0.668173 0.333771 0.665956 1 Si Si52 1 0.668169 0.667315 0.999588 1 Si Si53 1 0.668227 0.666262 0.333385 1 Si Si54 1 0.667534 0.666813 0.666479 1 Si Si55 1 0.254275 0.082132 0.251219 1 Si Si56 1 0.249837 0.083624 0.583174 1 Si Si57 1 0.253456 0.083100 0.914514 1 Si Si58 1 0.253478 0.418915 0.250280 1 Si Si59 1 0.249604 0.416982 0.582641 1 Si Si60 1 0.250517 0.416966 0.916407 1 Si Si61 1 0.249880 0.750153 0.249782 1 Si Si62 1 0.249633 0.749938 0.583493 1 Si Si63 1 0.249514 0.750800 0.916391 1 Si Si64 1 0.582737 0.082954 0.250389 1 Si Si65 1 0.583256 0.083152 0.584739 1 Si Si66 1 0.582911 0.083401 0.915568 1 Si Si67 1 0.583003 0.417656 0.249946 1 Si Si68 1 0.584187 0.417091 0.583285 1 Si Si69 1 0.583191 0.417874 0.915458 1 Si Si70 1 0.583213 0.748515 0.250206 1 Si Si71 1 0.583715 0.750056 0.583324 1 Si Si72 1 0.584160 0.749993 0.916274 1 Si Si73 1 0.902154 0.076223 0.256863 1 Si Si74 1 0.917073 0.083470 0.583115 1 Si Si75 1 0.917363 0.084927 0.918640 1 Si Si76 1 0.917473 0.414613 0.248348 1 Si Si77 1 0.917389 0.416290 0.582241 1 Si Si78 1 0.917390 0.416283 0.917025 1 Si Si79 1 0.917046 0.750174 0.249909 1 Si Si80 1 0.917349 0.750102 0.583172 1 Si Si81 1 0.917322 0.751061 0.917031 1 Si Si82 1 0.958667 0.166525 0.166274 1 Si Si83 1 0.000370 0.166682 0.499397 1 Si Si84 1 0.000305 0.167034 0.833570 1 Si Si85 1 0.000356 0.499793 0.166318 1 Si Si86 1 0.001207 0.497270 0.496916 1 Si Si87 1 0.000531 0.499956 0.833394 1 Si Si88 1 0.000311 0.833901 0.166693 1 Si Si89 1 0.000507 0.833738 0.499608 1 Si Si90 1 0.001113 0.836549 0.836191 1 Si Si91 1 0.335458 0.166872 0.166500 1 Si Si92 1 0.335324 0.166266 0.501265 1 Si Si93 1 0.335265 0.167514 0.831699 1 Si Si94 1 0.335290 0.501710 0.165875 1 Si Si95 1 0.333673 0.500301 0.499952 1 Si Si96 1 0.333507 0.500662 0.832691 1 Si Si97 1 0.335339 0.832050 0.167091 1 Si Si98 1 0.333417 0.833129 0.500295 1 Si Si99 1 0.333587 0.833497 0.833090 1 Si Si100 1 0.664763 0.166809 0.166462 1 Si Si101 1 0.665300 0.167022 0.501786 1 Si Si102 1 0.665266 0.166610 0.831091 1 Si Si103 1 0.665372 0.502052 0.166679 1 Si Si104 1 0.667756 0.500157 0.499775 1 Si Si105 1 0.667787 0.500636 0.832666 1 Si Si106 1 0.665199 0.831423 0.166287 1 Si Si107 1 0.667824 0.832965 0.500328 1 Si Si108 1 0.667652 0.833483 0.833111 1 Si Si109 1 0.098223 0.242277 0.241971 1 Si Si110 1 0.083538 0.250042 0.582616 1 Si Si111 1 0.083880 0.249195 0.917152 1 Si Si112 1 0.083556 0.583011 0.249643 1 Si Si113 1 0.083128 0.582287 0.581964 1 Si Si114 1 0.083598 0.583481 0.916637 1 Si Si115 1 0.083845 0.917485 0.248874 1 Si Si116 1 0.083543 0.917063 0.583069 1 Si Si117 1 0.083139 0.922099 0.921748 1 Si Si118 1 0.417667 0.250461 0.250041 1 Si Si119 1 0.417094 0.250321 0.583847 1 Si Si120 1 0.418138 0.250600 0.915191 1 Si Si121 1 0.417069 0.584186 0.250022 1 Si Si122 1 0.416898 0.583592 0.583149 1 Si Si123 1 0.416365 0.584122 0.916109 1 Si Si124 1 0.418239 0.915529 0.250172 1 Si Si125 1 0.416254 0.916562 0.583775 1 Si Si126 1 0.417633 0.916148 0.915859 1 Si Si127 1 0.746876 0.250312 0.250020 1 Si Si128 1 0.750967 0.250031 0.582585 1 Si Si129 1 0.746641 0.251125 0.913308 1 Si Si130 1 0.751030 0.582929 0.249611 1 Si Si131 1 0.750711 0.583462 0.583151 1 Si Si132 1 0.750983 0.583784 0.916130 1 Si Si133 1 0.746517 0.913625 0.250871 1 Si Si134 1 0.751007 0.916415 0.583495 1 Si Si135 1 0.750535 0.916996 0.916587 1 Si Si136 1 0.173415 0.996798 0.168299 1 Si Si137 1 0.167050 0.000330 0.499280 1 Si Si138 1 0.167086 0.000751 0.834035 1 Si Si139 1 0.173467 0.336913 0.164781 1 Si Si140 1 0.167190 0.333034 0.499016 1 Si Si141 1 0.167045 0.333407 0.833665 1 Si Si142 1 0.166737 0.666880 0.166480 1 Si Si143 1 0.166856 0.666644 0.499805 1 Si Si144 1 0.166892 0.667085 0.833212 1 Si Si145 1 0.500499 0.999540 0.166506 1 Si Si146 1 0.500863 0.999420 0.501235 1 Si Si147 1 0.500438 0.999791 0.832356 1 Si Si148 1 0.500509 0.334179 0.166427 1 Si Si149 1 0.500551 0.333859 0.500632 1 Si Si150 1 0.500888 0.334295 0.831767 1 Si Si151 1 0.500160 0.666761 0.166511 1 Si Si152 1 0.500684 0.666728 0.499943 1 Si Si153 1 0.500647 0.667024 0.833003 1 Si Si154 1 0.826488 0.995906 0.165633 1 Si Si155 1 0.833962 0.999979 0.499965 1 Si Si156 1 0.834837 0.000806 0.834547 1 Si Si157 1 0.826745 0.337490 0.167363 1 Si Si158 1 0.834907 0.332837 0.498337 1 Si Si159 1 0.833970 0.333659 0.833017 1 Si Si160 1 0.834161 0.666845 0.166458 1 Si Si161 1 0.834636 0.666171 0.499806 1 Si Si162 1 0.834587 0.667388 0.833177 1 Si Si163 1 0.098188 0.091603 0.091281 1 Si Si164 1 0.083857 0.084490 0.415805 1 Si Si165 1 0.083529 0.083760 0.750361 1 Si Si166 1 0.083880 0.416183 0.084153 1 Si Si167 1 0.083211 0.411740 0.411397 1 Si Si168 1 0.083614 0.416737 0.749893 1 Si Si169 1 0.083494 0.750722 0.083345 1 Si Si170 1 0.083577 0.750275 0.416342 1 Si Si171 1 0.083082 0.751529 0.751203 1 Si Si172 1 0.417665 0.083322 0.082921 1 Si Si173 1 0.418198 0.083178 0.417771 1 Si Si174 1 0.417033 0.083409 0.749153 1 Si Si175 1 0.418187 0.418210 0.082820 1 Si Si176 1 0.417694 0.417539 0.417234 1 Si Si177 1 0.416396 0.417269 0.749225 1 Si Si178 1 0.417091 0.749441 0.083021 1 Si Si179 1 0.416301 0.749631 0.416927 1 Si Si180 1 0.416870 0.750303 0.749870 1 Si Si181 1 0.746788 0.083216 0.082921 1 Si Si182 1 0.746672 0.082444 0.419592 1 Si Si183 1 0.750982 0.083679 0.750298 1 Si Si184 1 0.746764 0.419840 0.082130 1 Si Si185 1 0.750645 0.416675 0.416283 1 Si Si186 1 0.750991 0.417213 0.749488 1 Si Si187 1 0.750954 0.750699 0.083315 1 Si Si188 1 0.751008 0.749781 0.416883 1 Si Si189 1 0.750690 0.750152 0.749832 1 Si Si190 1 0.173438 0.168610 0.996496 1 Si Si191 1 0.173493 0.165097 0.336573 1 Si Si192 1 0.166732 0.166897 0.666483 1 Si Si193 1 0.167039 0.499694 0.999956 1 Si Si194 1 0.167141 0.499377 0.332674 1 Si Si195 1 0.166929 0.500163 0.666300 1 Si Si196 1 0.167103 0.834389 0.000385 1 Si Si197 1 0.167061 0.834041 0.333043 1 Si Si198 1 0.166786 0.833593 0.666732 1 Si Si199 1 0.500467 0.166904 0.999115 1 Si Si200 1 0.500486 0.166837 0.333783 1 Si Si201 1 0.500163 0.166841 0.666499 1 Si Si202 1 0.500914 0.501584 0.999049 1 Si Si203 1 0.500547 0.500933 0.333529 1 Si Si204 1 0.500695 0.500359 0.666312 1 Si Si205 1 0.500507 0.832670 0.999461 1 Si Si206 1 0.500894 0.832077 0.333957 1 Si Si207 1 0.500604 0.833421 0.666608 1 Si Si208 1 0.826558 0.165881 0.995641 1 Si Si209 1 0.826689 0.167636 0.337237 1 Si Si210 1 0.834149 0.166870 0.666438 1 Si Si211 1 0.834006 0.500276 0.999666 1 Si Si212 1 0.834936 0.498697 0.332446 1 Si Si213 1 0.834628 0.500125 0.665887 1 Si Si214 1 0.834813 0.834947 0.000441 1 Si Si215 1 0.833918 0.833345 0.333333 1 Si Si216 1 0.834634 0.833461 0.667083 1 C C217 1 0.066580 0.166863 0.166731 1