# 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 0.257470 0.243565 0.086289 1 Si Si2 1 0.250862 0.248335 0.418453 1 Si Si3 1 0.249542 0.250098 0.750639 1 Si Si4 1 0.249161 0.582873 0.083252 1 Si Si5 1 0.249092 0.582616 0.416045 1 Si Si6 1 0.249441 0.582598 0.750702 1 Si Si7 1 0.249846 0.916344 0.083651 1 Si Si8 1 0.250168 0.915180 0.417722 1 Si Si9 1 0.249572 0.916517 0.750860 1 Si Si10 1 0.583316 0.249681 0.083587 1 Si Si11 1 0.583892 0.249533 0.417052 1 Si Si12 1 0.583232 0.249796 0.750351 1 Si Si13 1 0.583021 0.583208 0.083353 1 Si Si14 1 0.582861 0.582715 0.416271 1 Si Si15 1 0.582191 0.583323 0.749455 1 Si Si16 1 0.584144 0.915943 0.083260 1 Si Si17 1 0.583546 0.916171 0.416798 1 Si Si18 1 0.582904 0.916565 0.750210 1 Si Si19 1 0.918996 0.252805 0.082921 1 Si Si20 1 0.917580 0.250131 0.415924 1 Si Si21 1 0.916206 0.249871 0.750024 1 Si Si22 1 0.912119 0.587137 0.081605 1 Si Si23 1 0.916694 0.582797 0.416248 1 Si Si24 1 0.915609 0.584161 0.748560 1 Si Si25 1 0.916683 0.917057 0.083402 1 Si Si26 1 0.916576 0.916432 0.416299 1 Si Si27 1 0.916248 0.917045 0.750109 1 Si Si28 1 0.000207 0.000829 0.000486 1 Si Si29 1 0.999826 0.999969 0.333089 1 Si Si30 1 0.999792 0.000237 0.666963 1 Si Si31 1 0.991080 0.337455 0.990782 1 Si Si32 1 0.002133 0.332632 0.332248 1 Si Si33 1 0.999568 0.333227 0.666575 1 Si Si34 1 0.998740 0.667699 0.999067 1 Si Si35 1 0.000079 0.666189 0.332870 1 Si Si36 1 0.999476 0.667244 0.665719 1 Si Si37 1 0.332649 0.000208 0.000183 1 Si Si38 1 0.334229 0.997981 0.334520 1 Si Si39 1 0.333272 0.999524 0.667551 1 Si Si40 1 0.332885 0.332948 0.001472 1 Si Si41 1 0.334691 0.331753 0.335121 1 Si Si42 1 0.333034 0.333081 0.666977 1 Si Si43 1 0.332774 0.666282 0.000418 1 Si Si44 1 0.332871 0.666168 0.333174 1 Si Si45 1 0.332681 0.665830 0.667029 1 Si Si46 1 0.666745 0.000446 0.000218 1 Si Si47 1 0.667113 0.999631 0.333440 1 Si Si48 1 0.666531 0.999836 0.666862 1 Si Si49 1 0.666279 0.333325 0.999983 1 Si Si50 1 0.666825 0.333050 0.333220 1 Si Si51 1 0.664834 0.332908 0.664847 1 Si Si52 1 0.665332 0.667386 0.999620 1 Si Si53 1 0.666636 0.665829 0.333067 1 Si Si54 1 0.666117 0.666553 0.666329 1 Si Si55 1 0.251310 0.080711 0.251843 1 Si Si56 1 0.250128 0.082515 0.584432 1 Si Si57 1 0.248746 0.084449 0.917973 1 Si Si58 1 0.252404 0.414928 0.252315 1 Si Si59 1 0.249810 0.416172 0.583570 1 Si Si60 1 0.248821 0.416209 0.918204 1 Si Si61 1 0.249736 0.749544 0.249966 1 Si Si62 1 0.249588 0.749213 0.583999 1 Si Si63 1 0.249378 0.749333 0.916876 1 Si Si64 1 0.584110 0.082696 0.250209 1 Si Si65 1 0.583509 0.083007 0.583682 1 Si Si66 1 0.583028 0.083152 0.917003 1 Si Si67 1 0.583365 0.416215 0.250099 1 Si Si68 1 0.582592 0.416450 0.582540 1 Si Si69 1 0.582907 0.416424 0.916712 1 Si Si70 1 0.583740 0.749377 0.249967 1 Si Si71 1 0.582911 0.749617 0.583221 1 Si Si72 1 0.582265 0.750243 0.916440 1 Si Si73 1 0.918157 0.084507 0.248918 1 Si Si74 1 0.916462 0.083037 0.583420 1 Si Si75 1 0.916763 0.084013 0.917268 1 Si Si76 1 0.918679 0.416394 0.248401 1 Si Si77 1 0.916453 0.416398 0.583110 1 Si Si78 1 0.909018 0.418264 0.909216 1 Si Si79 1 0.916499 0.749510 0.249640 1 Si Si80 1 0.916247 0.750162 0.582710 1 Si Si81 1 0.915825 0.750718 0.916115 1 Si Si82 1 0.002622 0.169360 0.166876 1 Si Si83 1 0.999895 0.166267 0.500046 1 Si Si84 1 0.000240 0.167727 0.834233 1 Si Si85 1 0.994884 0.506077 0.164219 1 Si Si86 1 0.999966 0.499685 0.499626 1 Si Si87 1 0.998083 0.501004 0.831428 1 Si Si88 1 0.999683 0.833382 0.166514 1 Si Si89 1 0.999823 0.833457 0.499753 1 Si Si90 1 0.999516 0.833975 0.833090 1 Si Si91 1 0.338257 0.161032 0.168636 1 Si Si92 1 0.334011 0.165756 0.501341 1 Si Si93 1 0.332634 0.166715 0.833945 1 Si Si94 1 0.332528 0.499367 0.166652 1 Si Si95 1 0.332602 0.499420 0.499432 1 Si Si96 1 0.332460 0.499007 0.834270 1 Si Si97 1 0.333196 0.833082 0.166782 1 Si Si98 1 0.333326 0.832194 0.500709 1 Si Si99 1 0.332681 0.832922 0.833691 1 Si Si100 1 0.666914 0.166677 0.166713 1 Si Si101 1 0.666971 0.166256 0.499974 1 Si Si102 1 0.666352 0.166555 0.833661 1 Si Si103 1 0.666363 0.499877 0.166454 1 Si Si104 1 0.666305 0.499636 0.499232 1 Si Si105 1 0.665181 0.500130 0.832426 1 Si Si106 1 0.666420 0.833692 0.166736 1 Si Si107 1 0.666529 0.832903 0.499893 1 Si Si108 1 0.666162 0.833554 0.833323 1 Si Si109 1 0.087095 0.241744 0.258942 1 Si Si110 1 0.083176 0.249603 0.583565 1 Si Si111 1 0.082400 0.252392 0.918182 1 Si Si112 1 0.082939 0.583072 0.248952 1 Si Si113 1 0.083038 0.583109 0.583187 1 Si Si114 1 0.081647 0.585216 0.914332 1 Si Si115 1 0.083323 0.916299 0.250133 1 Si Si116 1 0.082905 0.915251 0.584985 1 Si Si117 1 0.083005 0.916950 0.916929 1 Si Si118 1 0.417812 0.248624 0.251058 1 Si Si119 1 0.417039 0.249525 0.584295 1 Si Si120 1 0.416020 0.250020 0.917395 1 Si Si121 1 0.416127 0.582818 0.249611 1 Si Si122 1 0.415832 0.582684 0.583090 1 Si Si123 1 0.416077 0.582898 0.916948 1 Si Si124 1 0.417465 0.915284 0.250482 1 Si Si125 1 0.416528 0.916165 0.583792 1 Si Si126 1 0.415869 0.916563 0.916937 1 Si Si127 1 0.750656 0.250212 0.249644 1 Si Si128 1 0.750125 0.249699 0.583144 1 Si Si129 1 0.749770 0.249826 0.916875 1 Si Si130 1 0.750333 0.582642 0.249851 1 Si Si131 1 0.749394 0.583335 0.582484 1 Si Si132 1 0.748072 0.584166 0.915653 1 Si Si133 1 0.750541 0.916685 0.249842 1 Si Si134 1 0.749787 0.916503 0.583217 1 Si Si135 1 0.749710 0.917073 0.916642 1 Si Si136 1 0.166764 0.999934 0.167094 1 Si Si137 1 0.166917 0.997264 0.502669 1 Si Si138 1 0.166310 0.000588 0.833939 1 Si Si139 1 0.177355 0.317005 0.178621 1 Si Si140 1 0.166668 0.332737 0.500083 1 Si Si141 1 0.165843 0.333832 0.833539 1 Si Si142 1 0.166114 0.666782 0.166157 1 Si Si143 1 0.166340 0.666443 0.499833 1 Si Si144 1 0.165498 0.667522 0.832151 1 Si Si145 1 0.501689 0.997992 0.167164 1 Si Si146 1 0.500177 0.999409 0.500446 1 Si Si147 1 0.499491 0.999880 0.833739 1 Si Si148 1 0.499803 0.332812 0.167047 1 Si Si149 1 0.499979 0.332675 0.500227 1 Si Si150 1 0.499522 0.333070 0.833529 1 Si Si151 1 0.499713 0.666580 0.166649 1 Si Si152 1 0.499600 0.665932 0.499976 1 Si Si153 1 0.499023 0.666528 0.833222 1 Si Si154 1 0.833754 0.000712 0.166766 1 Si Si155 1 0.833274 0.999825 0.499739 1 Si Si156 1 0.833253 0.000624 0.833667 1 Si Si157 1 0.833611 0.333968 0.165957 1 Si Si158 1 0.833537 0.332983 0.499494 1 Si Si159 1 0.828190 0.332921 0.828686 1 Si Si160 1 0.830546 0.668703 0.166106 1 Si Si161 1 0.833092 0.666491 0.499312 1 Si Si162 1 0.832438 0.667137 0.832742 1 Si Si163 1 0.083966 0.083812 0.084120 1 Si Si164 1 0.082994 0.078652 0.420923 1 Si Si165 1 0.082971 0.083692 0.750616 1 Si Si166 1 0.067589 0.426851 0.070237 1 Si Si167 1 0.083730 0.416095 0.416695 1 Si Si168 1 0.082635 0.416793 0.750006 1 Si Si169 1 0.082774 0.749914 0.082983 1 Si Si170 1 0.083059 0.749682 0.416690 1 Si Si171 1 0.082628 0.750375 0.749573 1 Si Si172 1 0.419440 0.079786 0.083682 1 Si Si173 1 0.417097 0.082495 0.417343 1 Si Si174 1 0.416384 0.083204 0.750765 1 Si Si175 1 0.416665 0.416261 0.083970 1 Si Si176 1 0.417164 0.415530 0.417495 1 Si Si177 1 0.416276 0.416387 0.750394 1 Si Si178 1 0.416507 0.749764 0.083420 1 Si Si179 1 0.416542 0.749089 0.416868 1 Si Si180 1 0.415960 0.749646 0.750058 1 Si Si181 1 0.750599 0.083816 0.083279 1 Si Si182 1 0.750587 0.083254 0.416408 1 Si Si183 1 0.749843 0.083300 0.750327 1 Si Si184 1 0.749890 0.416871 0.082891 1 Si Si185 1 0.750424 0.416374 0.416235 1 Si Si186 1 0.746880 0.416918 0.747083 1 Si Si187 1 0.748498 0.751189 0.082855 1 Si Si188 1 0.749835 0.749566 0.416273 1 Si Si189 1 0.749376 0.750223 0.749642 1 Si Si190 1 0.166439 0.169129 0.002046 1 Si Si191 1 0.168359 0.159573 0.340203 1 Si Si192 1 0.166444 0.166579 0.666992 1 Si Si193 1 0.164660 0.503293 0.997270 1 Si Si194 1 0.166180 0.499159 0.332201 1 Si Si195 1 0.166179 0.499869 0.666558 1 Si Si196 1 0.166254 0.833407 0.999934 1 Si Si197 1 0.166455 0.833000 0.333426 1 Si Si198 1 0.166386 0.833014 0.667334 1 Si Si199 1 0.499642 0.166429 0.000371 1 Si Si200 1 0.500804 0.165793 0.334020 1 Si Si201 1 0.500019 0.166295 0.667292 1 Si Si202 1 0.499529 0.499818 0.000141 1 Si Si203 1 0.499249 0.499408 0.333045 1 Si Si204 1 0.499116 0.499605 0.666211 1 Si Si205 1 0.499424 0.833673 0.000110 1 Si Si206 1 0.500337 0.832234 0.333657 1 Si Si207 1 0.499649 0.832982 0.666844 1 Si Si208 1 0.834341 0.168161 0.001006 1 Si Si209 1 0.833946 0.166770 0.332740 1 Si Si210 1 0.833110 0.166469 0.666624 1 Si Si211 1 0.830922 0.501187 0.998161 1 Si Si212 1 0.834339 0.498884 0.332382 1 Si Si213 1 0.832353 0.500173 0.665567 1 Si Si214 1 0.832811 0.834100 0.999891 1 Si Si215 1 0.833270 0.832980 0.333003 1 Si Si216 1 0.833019 0.833554 0.666436 1 N N217 1 0.099514 0.344194 0.119601 1