# 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 0.250000 0.250000 0.415849 1 Si Si2 1 0.250000 0.250000 0.750806 1 Si Si3 1 0.249998 0.582522 0.083327 1 Si Si4 1 0.249863 0.581474 0.414801 1 Si Si5 1 0.250135 0.581452 0.751876 1 Si Si6 1 0.250002 0.917478 0.083327 1 Si Si7 1 0.250137 0.918526 0.414801 1 Si Si8 1 0.249865 0.918548 0.751876 1 Si Si9 1 0.582522 0.249998 0.083327 1 Si Si10 1 0.581474 0.249863 0.414801 1 Si Si11 1 0.581452 0.250135 0.751876 1 Si Si12 1 0.581464 0.581464 0.083190 1 Si Si13 1 0.583170 0.583170 0.416485 1 Si Si14 1 0.583027 0.583027 0.750304 1 Si Si15 1 0.581461 0.918539 0.083461 1 Si Si16 1 0.583025 0.916975 0.416354 1 Si Si17 1 0.583164 0.916836 0.750144 1 Si Si18 1 0.917478 0.250002 0.083327 1 Si Si19 1 0.918526 0.250137 0.414801 1 Si Si20 1 0.918548 0.249865 0.751876 1 Si Si21 1 0.918539 0.581461 0.083461 1 Si Si22 1 0.916975 0.583025 0.416354 1 Si Si23 1 0.916836 0.583164 0.750144 1 Si Si24 1 0.918536 0.918536 0.083190 1 Si Si25 1 0.916830 0.916830 0.416485 1 Si Si26 1 0.916973 0.916973 0.750304 1 Si Si27 1 0.003270 0.003270 0.000402 1 Si Si28 1 0.000177 0.000177 0.333147 1 Si Si29 1 0.000440 0.000440 0.667071 1 Si Si30 1 0.000864 0.333436 0.999893 1 Si Si31 1 0.003263 0.332926 0.330064 1 Si Si32 1 0.000367 0.333139 0.666922 1 Si Si33 1 0.000366 0.666406 0.000188 1 Si Si34 1 0.000454 0.666259 0.332902 1 Si Si35 1 0.000382 0.666587 0.666734 1 Si Si36 1 0.333436 0.000864 0.999893 1 Si Si37 1 0.332926 0.003263 0.330064 1 Si Si38 1 0.333139 0.000367 0.666922 1 Si Si39 1 0.321104 0.321104 0.012225 1 Si Si40 1 0.333434 0.333434 0.332463 1 Si Si41 1 0.333088 0.333088 0.666971 1 Si Si42 1 0.333088 0.666355 0.000240 1 Si Si43 1 0.333139 0.666406 0.332965 1 Si Si44 1 0.332953 0.665765 0.667579 1 Si Si45 1 0.666406 0.000366 0.000188 1 Si Si46 1 0.666259 0.000454 0.332902 1 Si Si47 1 0.666587 0.000382 0.666734 1 Si Si48 1 0.666355 0.333088 0.000240 1 Si Si49 1 0.666406 0.333139 0.332965 1 Si Si50 1 0.665765 0.332953 0.667579 1 Si Si51 1 0.665810 0.665810 0.000435 1 Si Si52 1 0.666586 0.666586 0.332948 1 Si Si53 1 0.666497 0.666497 0.666832 1 Si Si54 1 0.249806 0.088197 0.245130 1 Si Si55 1 0.250001 0.083749 0.583329 1 Si Si56 1 0.250195 0.088204 0.921532 1 Si Si57 1 0.250194 0.411803 0.245130 1 Si Si58 1 0.249999 0.416251 0.583329 1 Si Si59 1 0.249805 0.411796 0.921532 1 Si Si60 1 0.250000 0.750000 0.249583 1 Si Si61 1 0.250000 0.750000 0.583444 1 Si Si62 1 0.250000 0.750000 0.917080 1 Si Si63 1 0.582363 0.083832 0.249498 1 Si Si64 1 0.583013 0.083821 0.583243 1 Si Si65 1 0.582981 0.083591 0.916922 1 Si Si66 1 0.582986 0.416401 0.249733 1 Si Si67 1 0.583014 0.416186 0.583407 1 Si Si68 1 0.582363 0.416170 0.917159 1 Si Si69 1 0.582997 0.750084 0.249529 1 Si Si70 1 0.583051 0.749990 0.583321 1 Si Si71 1 0.583032 0.749920 0.917157 1 Si Si72 1 0.917014 0.083599 0.249733 1 Si Si73 1 0.916986 0.083814 0.583407 1 Si Si74 1 0.917637 0.083830 0.917159 1 Si Si75 1 0.917637 0.416168 0.249498 1 Si Si76 1 0.916987 0.416179 0.583243 1 Si Si77 1 0.917019 0.416409 0.916922 1 Si Si78 1 0.917003 0.749916 0.249529 1 Si Si79 1 0.916949 0.750010 0.583321 1 Si Si80 1 0.916968 0.750080 0.917157 1 Si Si81 1 0.000865 0.166568 0.166761 1 Si Si82 1 0.000368 0.166862 0.499733 1 Si Si83 1 0.003274 0.167074 0.836603 1 Si Si84 1 0.003269 0.496731 0.166254 1 Si Si85 1 0.000440 0.499560 0.499584 1 Si Si86 1 0.000175 0.499825 0.833496 1 Si Si87 1 0.000369 0.833597 0.166466 1 Si Si88 1 0.000378 0.833420 0.499905 1 Si Si89 1 0.000426 0.833740 0.833782 1 Si Si90 1 0.321107 0.178893 0.154438 1 Si Si91 1 0.333089 0.166911 0.499682 1 Si Si92 1 0.333434 0.166566 0.834191 1 Si Si93 1 0.333432 0.499135 0.166761 1 Si Si94 1 0.333138 0.499632 0.499733 1 Si Si95 1 0.332926 0.496726 0.836603 1 Si Si96 1 0.333087 0.833643 0.166416 1 Si Si97 1 0.332904 0.834193 0.499150 1 Si Si98 1 0.333139 0.833597 0.833699 1 Si Si99 1 0.666357 0.166913 0.166416 1 Si Si100 1 0.665807 0.167096 0.499150 1 Si Si101 1 0.666403 0.166861 0.833699 1 Si Si102 1 0.666403 0.499631 0.166466 1 Si Si103 1 0.666580 0.499622 0.499905 1 Si Si104 1 0.666260 0.499574 0.833782 1 Si Si105 1 0.665763 0.834237 0.166297 1 Si Si106 1 0.666496 0.833504 0.499824 1 Si Si107 1 0.666581 0.833419 0.833701 1 Si Si108 1 0.088197 0.249806 0.245130 1 Si Si109 1 0.083749 0.250001 0.583329 1 Si Si110 1 0.088204 0.250195 0.921532 1 Si Si111 1 0.083832 0.582363 0.249498 1 Si Si112 1 0.083821 0.583013 0.583243 1 Si Si113 1 0.083591 0.582981 0.916922 1 Si Si114 1 0.083599 0.917014 0.249733 1 Si Si115 1 0.083814 0.916986 0.583407 1 Si Si116 1 0.083830 0.917637 0.917159 1 Si Si117 1 0.411803 0.250194 0.245130 1 Si Si118 1 0.416251 0.249999 0.583329 1 Si Si119 1 0.411796 0.249805 0.921532 1 Si Si120 1 0.416401 0.582986 0.249733 1 Si Si121 1 0.416186 0.583014 0.583407 1 Si Si122 1 0.416170 0.582363 0.917159 1 Si Si123 1 0.416168 0.917637 0.249498 1 Si Si124 1 0.416179 0.916987 0.583243 1 Si Si125 1 0.416409 0.917019 0.916922 1 Si Si126 1 0.750000 0.250000 0.249583 1 Si Si127 1 0.750000 0.250000 0.583444 1 Si Si128 1 0.750000 0.250000 0.917080 1 Si Si129 1 0.750084 0.582997 0.249529 1 Si Si130 1 0.749990 0.583051 0.583321 1 Si Si131 1 0.749920 0.583032 0.917157 1 Si Si132 1 0.749916 0.917003 0.249529 1 Si Si133 1 0.750010 0.916949 0.583321 1 Si Si134 1 0.750080 0.916968 0.917157 1 Si Si135 1 0.166568 0.000865 0.166761 1 Si Si136 1 0.166862 0.000368 0.499733 1 Si Si137 1 0.167074 0.003274 0.836603 1 Si Si138 1 0.178893 0.321107 0.154438 1 Si Si139 1 0.166911 0.333089 0.499682 1 Si Si140 1 0.166566 0.333434 0.834191 1 Si Si141 1 0.166913 0.666357 0.166416 1 Si Si142 1 0.167096 0.665807 0.499150 1 Si Si143 1 0.166861 0.666403 0.833699 1 Si Si144 1 0.496731 0.003269 0.166254 1 Si Si145 1 0.499560 0.000440 0.499584 1 Si Si146 1 0.499825 0.000175 0.833496 1 Si Si147 1 0.499135 0.333432 0.166761 1 Si Si148 1 0.499632 0.333138 0.499733 1 Si Si149 1 0.496726 0.332926 0.836603 1 Si Si150 1 0.499631 0.666403 0.166466 1 Si Si151 1 0.499623 0.666580 0.499905 1 Si Si152 1 0.499574 0.666260 0.833782 1 Si Si153 1 0.833597 0.000369 0.166466 1 Si Si154 1 0.833420 0.000378 0.499905 1 Si Si155 1 0.833740 0.000426 0.833782 1 Si Si156 1 0.833643 0.333087 0.166416 1 Si Si157 1 0.834193 0.332904 0.499150 1 Si Si158 1 0.833597 0.333139 0.833699 1 Si Si159 1 0.834237 0.665763 0.166297 1 Si Si160 1 0.833504 0.666496 0.499824 1 Si Si161 1 0.833419 0.666581 0.833701 1 Si Si162 1 0.088201 0.088201 0.083522 1 Si Si163 1 0.083595 0.083595 0.416311 1 Si Si164 1 0.083831 0.083831 0.750962 1 Si Si165 1 0.088202 0.411798 0.083133 1 Si Si166 1 0.083831 0.416169 0.415688 1 Si Si167 1 0.083596 0.416404 0.750345 1 Si Si168 1 0.083749 0.749999 0.083328 1 Si Si169 1 0.083831 0.749916 0.416362 1 Si Si170 1 0.083800 0.750083 0.750334 1 Si Si171 1 0.411798 0.088202 0.083133 1 Si Si172 1 0.416169 0.083831 0.415688 1 Si Si173 1 0.416404 0.083596 0.750345 1 Si Si174 1 0.411799 0.411799 0.083522 1 Si Si175 1 0.416405 0.416405 0.416311 1 Si Si176 1 0.416169 0.416169 0.750962 1 Si Si177 1 0.416251 0.750001 0.083328 1 Si Si178 1 0.416169 0.750084 0.416362 1 Si Si179 1 0.416200 0.749917 0.750334 1 Si Si180 1 0.749999 0.083749 0.083328 1 Si Si181 1 0.749916 0.083831 0.416362 1 Si Si182 1 0.750083 0.083800 0.750334 1 Si Si183 1 0.750001 0.416251 0.083328 1 Si Si184 1 0.750084 0.416169 0.416362 1 Si Si185 1 0.749917 0.416200 0.750334 1 Si Si186 1 0.750000 0.750000 0.083447 1 Si Si187 1 0.750000 0.750000 0.416381 1 Si Si188 1 0.750000 0.750000 0.750282 1 Si Si189 1 0.178896 0.178896 0.012225 1 Si Si190 1 0.166566 0.166566 0.332463 1 Si Si191 1 0.166912 0.166912 0.666971 1 Si Si192 1 0.166564 0.499136 0.999893 1 Si Si193 1 0.167074 0.496737 0.330064 1 Si Si194 1 0.166861 0.499633 0.666922 1 Si Si195 1 0.166912 0.833645 0.000240 1 Si Si196 1 0.166861 0.833594 0.332965 1 Si Si197 1 0.167047 0.834235 0.667579 1 Si Si198 1 0.499136 0.166564 0.999893 1 Si Si199 1 0.496737 0.167074 0.330064 1 Si Si200 1 0.499633 0.166861 0.666922 1 Si Si201 1 0.496730 0.496730 0.000402 1 Si Si202 1 0.499823 0.499823 0.333147 1 Si Si203 1 0.499560 0.499560 0.667071 1 Si Si204 1 0.499634 0.833594 0.000188 1 Si Si205 1 0.499546 0.833741 0.332902 1 Si Si206 1 0.499618 0.833413 0.666734 1 Si Si207 1 0.833645 0.166912 0.000240 1 Si Si208 1 0.833594 0.166861 0.332965 1 Si Si209 1 0.834235 0.167047 0.667579 1 Si Si210 1 0.833594 0.499634 0.000188 1 Si Si211 1 0.833741 0.499546 0.332902 1 Si Si212 1 0.833413 0.499618 0.666734 1 Si Si213 1 0.834190 0.834190 0.000435 1 Si Si214 1 0.833414 0.833414 0.332948 1 Si Si215 1 0.833503 0.833503 0.666832 1 C C216 1 0.250000 0.250000 0.083333 1