# generated using pymatgen data_Si216N _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 Si216N _chemical_formula_sum 'Si216 N1' _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 0.264034 0.244689 0.088476 1 Si Si2 1 0.250081 0.249894 0.415629 1 Si Si3 1 0.250346 0.249725 0.749515 1 Si Si4 1 0.250366 0.583776 0.083613 1 Si Si5 1 0.248958 0.581955 0.415323 1 Si Si6 1 0.249570 0.582301 0.751072 1 Si Si7 1 0.250105 0.917649 0.083505 1 Si Si8 1 0.250197 0.916250 0.417154 1 Si Si9 1 0.248967 0.918001 0.751348 1 Si Si10 1 0.584042 0.250019 0.083374 1 Si Si11 1 0.584249 0.250033 0.417369 1 Si Si12 1 0.583672 0.249911 0.749947 1 Si Si13 1 0.583635 0.583325 0.083554 1 Si Si14 1 0.582638 0.582732 0.416968 1 Si Si15 1 0.583181 0.582783 0.750612 1 Si Si16 1 0.584208 0.915900 0.083409 1 Si Si17 1 0.582890 0.916383 0.417032 1 Si Si18 1 0.582613 0.916486 0.750697 1 Si Si19 1 0.918510 0.249834 0.083354 1 Si Si20 1 0.916866 0.250372 0.415767 1 Si Si21 1 0.913910 0.249969 0.746913 1 Si Si22 1 0.913971 0.586333 0.083384 1 Si Si23 1 0.916574 0.583653 0.416884 1 Si Si24 1 0.917349 0.581893 0.751447 1 Si Si25 1 0.916828 0.917469 0.082961 1 Si Si26 1 0.916542 0.916052 0.417269 1 Si Si27 1 0.916564 0.916414 0.749670 1 Si Si28 1 0.000443 0.001277 0.999997 1 Si Si29 1 0.999690 0.999387 0.333880 1 Si Si30 1 0.999771 0.998373 0.664612 1 Si Si31 1 0.018194 0.323942 0.009216 1 Si Si32 1 0.000525 0.333236 0.331927 1 Si Si33 1 0.999946 0.333139 0.666171 1 Si Si34 1 0.999988 0.667096 0.000228 1 Si Si35 1 0.999789 0.668682 0.334928 1 Si Si36 1 0.000121 0.665788 0.667512 1 Si Si37 1 0.331324 0.002936 0.000097 1 Si Si38 1 0.333527 0.999482 0.333900 1 Si Si39 1 0.332720 0.000331 0.667367 1 Si Si40 1 0.335259 0.332104 0.001190 1 Si Si41 1 0.331317 0.333299 0.330362 1 Si Si42 1 0.333309 0.333154 0.666188 1 Si Si43 1 0.333318 0.667174 0.000291 1 Si Si44 1 0.332768 0.665987 0.333122 1 Si Si45 1 0.332937 0.665802 0.667570 1 Si Si46 1 0.666983 0.999971 0.000220 1 Si Si47 1 0.666533 0.999693 0.333669 1 Si Si48 1 0.666049 0.999677 0.667097 1 Si Si49 1 0.667589 0.333200 0.000162 1 Si Si50 1 0.667077 0.333235 0.333350 1 Si Si51 1 0.667180 0.333267 0.667036 1 Si Si52 1 0.667118 0.666211 0.000149 1 Si Si53 1 0.666089 0.666230 0.333747 1 Si Si54 1 0.666363 0.666199 0.667200 1 Si Si55 1 0.251045 0.082924 0.250434 1 Si Si56 1 0.249878 0.083347 0.583010 1 Si Si57 1 0.243561 0.090497 0.922979 1 Si Si58 1 0.243537 0.410222 0.242692 1 Si Si59 1 0.249798 0.416467 0.582838 1 Si Si60 1 0.246764 0.413426 0.919819 1 Si Si61 1 0.249932 0.750322 0.250082 1 Si Si62 1 0.249768 0.749259 0.584055 1 Si Si63 1 0.249777 0.750482 0.916927 1 Si Si64 1 0.584195 0.083204 0.250167 1 Si Si65 1 0.582503 0.083206 0.584140 1 Si Si66 1 0.583597 0.083339 0.916872 1 Si Si67 1 0.583655 0.416601 0.250065 1 Si Si68 1 0.582593 0.416385 0.584076 1 Si Si69 1 0.583809 0.416430 0.916935 1 Si Si70 1 0.582511 0.749188 0.250285 1 Si Si71 1 0.583076 0.749741 0.583740 1 Si Si72 1 0.582557 0.749221 0.917030 1 Si Si73 1 0.915220 0.081900 0.251347 1 Si Si74 1 0.916553 0.083213 0.582452 1 Si Si75 1 0.916108 0.082778 0.915515 1 Si Si76 1 0.916238 0.417722 0.250439 1 Si Si77 1 0.916700 0.416547 0.583019 1 Si Si78 1 0.923807 0.410237 0.922959 1 Si Si79 1 0.916528 0.750870 0.250171 1 Si Si80 1 0.916540 0.749167 0.584156 1 Si Si81 1 0.916682 0.750259 0.916881 1 Si Si82 1 0.997725 0.164392 0.168825 1 Si Si83 1 0.000078 0.166757 0.499113 1 Si Si84 1 0.995365 0.162036 0.824605 1 Si Si85 1 0.995511 0.508608 0.171195 1 Si Si86 1 0.000119 0.499821 0.499564 1 Si Si87 1 0.999621 0.497665 0.835597 1 Si Si88 1 0.000067 0.834170 0.166605 1 Si Si89 1 0.999722 0.832669 0.500626 1 Si Si90 1 0.000063 0.833680 0.833498 1 Si Si91 1 0.341912 0.162202 0.171173 1 Si Si92 1 0.333147 0.166763 0.499551 1 Si Si93 1 0.330996 0.166269 0.835598 1 Si Si94 1 0.331016 0.497679 0.167064 1 Si Si95 1 0.332984 0.499649 0.499297 1 Si Si96 1 0.330850 0.497512 0.835831 1 Si Si97 1 0.333197 0.833811 0.166702 1 Si Si98 1 0.332982 0.832655 0.500757 1 Si Si99 1 0.332939 0.834059 0.833755 1 Si Si100 1 0.667491 0.166744 0.166606 1 Si Si101 1 0.665998 0.166392 0.500607 1 Si Si102 1 0.667039 0.166687 0.833497 1 Si Si103 1 0.667146 0.499855 0.166687 1 Si Si104 1 0.665966 0.499634 0.500780 1 Si Si105 1 0.667395 0.499591 0.833770 1 Si Si106 1 0.665982 0.832657 0.167039 1 Si Si107 1 0.666425 0.833093 0.500320 1 Si Si108 1 0.665896 0.832557 0.833767 1 Si Si109 1 0.083170 0.249856 0.247970 1 Si Si110 1 0.083328 0.250001 0.582544 1 Si Si111 1 0.077947 0.244638 0.902435 1 Si Si112 1 0.083357 0.586348 0.252710 1 Si Si113 1 0.083292 0.583325 0.583017 1 Si Si114 1 0.083069 0.583768 0.916256 1 Si Si115 1 0.083722 0.917507 0.249782 1 Si Si116 1 0.083367 0.915927 0.582359 1 Si Si117 1 0.083192 0.917589 0.916563 1 Si Si118 1 0.419663 0.250032 0.252708 1 Si Si119 1 0.416646 0.249933 0.583012 1 Si Si120 1 0.417104 0.249732 0.916248 1 Si Si121 1 0.415193 0.581867 0.249411 1 Si Si122 1 0.416166 0.582815 0.583531 1 Si Si123 1 0.415596 0.582255 0.917198 1 Si Si124 1 0.417015 0.916514 0.250230 1 Si Si125 1 0.416043 0.916484 0.584094 1 Si Si126 1 0.415286 0.918001 0.917779 1 Si Si127 1 0.750831 0.250381 0.249783 1 Si Si128 1 0.749265 0.250006 0.582363 1 Si Si129 1 0.750917 0.249846 0.916559 1 Si Si130 1 0.749827 0.583672 0.250238 1 Si Si131 1 0.749819 0.582701 0.584106 1 Si Si132 1 0.751344 0.581953 0.917778 1 Si Si133 1 0.749348 0.916018 0.250208 1 Si Si134 1 0.749746 0.916409 0.583786 1 Si Si135 1 0.749486 0.916139 0.916574 1 Si Si136 1 0.166570 0.001368 0.166101 1 Si Si137 1 0.166508 0.000055 0.499596 1 Si Si138 1 0.166547 0.002863 0.835270 1 Si Si139 1 0.157284 0.323985 0.148248 1 Si Si140 1 0.166548 0.333224 0.499025 1 Si Si141 1 0.165394 0.332049 0.831369 1 Si Si142 1 0.166530 0.667157 0.166766 1 Si Si143 1 0.166625 0.666257 0.499507 1 Si Si144 1 0.166454 0.667185 0.833334 1 Si Si145 1 0.501990 0.998436 0.166948 1 Si Si146 1 0.499546 0.999696 0.500616 1 Si Si147 1 0.499265 0.000330 0.834002 1 Si Si148 1 0.500481 0.333199 0.166766 1 Si Si149 1 0.499577 0.333276 0.499500 1 Si Si150 1 0.500522 0.333105 0.833330 1 Si Si151 1 0.499141 0.665806 0.166728 1 Si Si152 1 0.499602 0.666263 0.500411 1 Si Si153 1 0.499101 0.665752 0.833829 1 Si Si154 1 0.832670 0.999339 0.166962 1 Si Si155 1 0.833071 0.999740 0.500084 1 Si Si156 1 0.832667 0.999300 0.833060 1 Si Si157 1 0.834696 0.333238 0.166115 1 Si Si158 1 0.833381 0.333179 0.499619 1 Si Si159 1 0.836182 0.333204 0.835257 1 Si Si160 1 0.831749 0.668664 0.166965 1 Si Si161 1 0.833029 0.666201 0.500626 1 Si Si162 1 0.833671 0.665934 0.834007 1 Si Si163 1 0.083160 0.085189 0.083347 1 Si Si164 1 0.083694 0.083553 0.415756 1 Si Si165 1 0.083308 0.080590 0.746926 1 Si Si166 1 0.077992 0.430730 0.088466 1 Si Si167 1 0.083218 0.416749 0.415621 1 Si Si168 1 0.083082 0.417008 0.749518 1 Si Si169 1 0.083346 0.750725 0.083376 1 Si Si170 1 0.083369 0.750923 0.417393 1 Si Si171 1 0.083278 0.750322 0.749923 1 Si Si172 1 0.419649 0.080645 0.083374 1 Si Si173 1 0.416980 0.083216 0.416876 1 Si Si174 1 0.415224 0.084006 0.751441 1 Si Si175 1 0.417097 0.417029 0.083613 1 Si Si176 1 0.415288 0.415630 0.415320 1 Si Si177 1 0.415633 0.416226 0.751060 1 Si Si178 1 0.416664 0.750305 0.083560 1 Si Si179 1 0.416074 0.749305 0.416974 1 Si Si180 1 0.416135 0.749838 0.750597 1 Si Si181 1 0.750808 0.083506 0.082977 1 Si Si182 1 0.749380 0.083201 0.417262 1 Si Si183 1 0.749767 0.083173 0.749669 1 Si Si184 1 0.750987 0.416764 0.083500 1 Si Si185 1 0.749578 0.416861 0.417178 1 Si Si186 1 0.751326 0.415630 0.751348 1 Si Si187 1 0.749216 0.750860 0.083417 1 Si Si188 1 0.749714 0.749555 0.417035 1 Si Si189 1 0.749822 0.749278 0.750697 1 Si Si190 1 0.157250 0.184879 0.009200 1 Si Si191 1 0.166560 0.167227 0.331924 1 Si Si192 1 0.166473 0.166610 0.666153 1 Si Si193 1 0.165443 0.501939 0.001192 1 Si Si194 1 0.166621 0.497995 0.330364 1 Si Si195 1 0.166502 0.499984 0.666191 1 Si Si196 1 0.166546 0.834260 0.000169 1 Si Si197 1 0.166555 0.833743 0.333357 1 Si Si198 1 0.166638 0.833837 0.667023 1 Si Si199 1 0.500428 0.166650 0.000216 1 Si Si200 1 0.501989 0.166449 0.334922 1 Si Si201 1 0.499121 0.166773 0.667507 1 Si Si202 1 0.500499 0.499980 0.000299 1 Si Si203 1 0.499317 0.499433 0.333109 1 Si Si204 1 0.499150 0.499582 0.667581 1 Si Si205 1 0.499555 0.833790 0.000153 1 Si Si206 1 0.499560 0.832764 0.333753 1 Si Si207 1 0.499539 0.833032 0.667193 1 Si Si208 1 0.834613 0.167118 0.000001 1 Si Si209 1 0.832710 0.166360 0.333885 1 Si Si210 1 0.831706 0.166405 0.664609 1 Si Si211 1 0.836271 0.498008 0.000107 1 Si Si212 1 0.832810 0.500213 0.333931 1 Si Si213 1 0.833675 0.499384 0.667379 1 Si Si214 1 0.833298 0.833623 0.000227 1 Si Si215 1 0.833029 0.833210 0.333674 1 Si Si216 1 0.833019 0.832714 0.667110 1 N N217 1 0.116769 0.283468 0.049649 1