# 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 0.257081 0.243841 0.085955 1 Si Si2 1 0.250445 0.248526 0.418112 1 Si Si3 1 0.249916 0.249994 0.750069 1 Si Si4 1 0.248950 0.582847 0.083222 1 Si Si5 1 0.248941 0.582736 0.415751 1 Si Si6 1 0.249613 0.582648 0.750788 1 Si Si7 1 0.249994 0.916657 0.083337 1 Si Si8 1 0.250056 0.915449 0.417532 1 Si Si9 1 0.249714 0.916415 0.750397 1 Si Si10 1 0.583327 0.249990 0.083333 1 Si Si11 1 0.583417 0.249900 0.416772 1 Si Si12 1 0.583330 0.249991 0.750008 1 Si Si13 1 0.583318 0.583334 0.083335 1 Si Si14 1 0.582554 0.582832 0.416342 1 Si Si15 1 0.582171 0.583425 0.749580 1 Si Si16 1 0.583947 0.915806 0.083207 1 Si Si17 1 0.583326 0.916651 0.416665 1 Si Si18 1 0.583324 0.916660 0.750004 1 Si Si19 1 0.918460 0.252423 0.082819 1 Si Si20 1 0.917174 0.250456 0.415837 1 Si Si21 1 0.916638 0.249981 0.749996 1 Si Si22 1 0.912098 0.587221 0.081651 1 Si Si23 1 0.916619 0.583213 0.416584 1 Si Si24 1 0.915970 0.583756 0.748825 1 Si Si25 1 0.916660 0.916674 0.083335 1 Si Si26 1 0.916642 0.916648 0.416618 1 Si Si27 1 0.916656 0.916679 0.750003 1 Si Si28 1 0.000135 0.000224 0.000186 1 Si Si29 1 0.999740 0.999974 0.333219 1 Si Si30 1 0.999914 0.000074 0.666907 1 Si Si31 1 0.990820 0.337296 0.990948 1 Si Si32 1 0.002042 0.332536 0.332351 1 Si Si33 1 0.999953 0.333310 0.666715 1 Si Si34 1 0.999059 0.667589 0.999389 1 Si Si35 1 0.000109 0.666508 0.333290 1 Si Si36 1 0.999738 0.666918 0.666149 1 Si Si37 1 0.332870 0.000214 0.999823 1 Si Si38 1 0.333877 0.998242 0.334168 1 Si Si39 1 0.333271 0.999572 0.667162 1 Si Si40 1 0.333194 0.332520 0.001227 1 Si Si41 1 0.334211 0.331853 0.334655 1 Si Si42 1 0.333260 0.333227 0.666748 1 Si Si43 1 0.332891 0.666201 0.000619 1 Si Si44 1 0.332994 0.666133 0.333153 1 Si Si45 1 0.332840 0.665842 0.667072 1 Si Si46 1 0.666689 0.999917 0.000063 1 Si Si47 1 0.666774 0.999931 0.333344 1 Si Si48 1 0.666632 0.999987 0.666634 1 Si Si49 1 0.666693 0.333314 0.999953 1 Si Si50 1 0.666674 0.333255 0.333369 1 Si Si51 1 0.664783 0.333113 0.664801 1 Si Si52 1 0.665491 0.667302 0.999617 1 Si Si53 1 0.666601 0.666042 0.333432 1 Si Si54 1 0.666463 0.666596 0.666696 1 Si Si55 1 0.250862 0.081127 0.251420 1 Si Si56 1 0.249707 0.082582 0.584117 1 Si Si57 1 0.248607 0.084537 0.917582 1 Si Si58 1 0.251781 0.415023 0.251797 1 Si Si59 1 0.249986 0.416647 0.583332 1 Si Si60 1 0.248682 0.415956 0.918176 1 Si Si61 1 0.249988 0.749988 0.249993 1 Si Si62 1 0.249630 0.749235 0.583909 1 Si Si63 1 0.249413 0.749196 0.916847 1 Si Si64 1 0.583416 0.083063 0.250014 1 Si Si65 1 0.583328 0.083329 0.583339 1 Si Si66 1 0.583321 0.083323 0.916668 1 Si Si67 1 0.583322 0.416654 0.249998 1 Si Si68 1 0.582103 0.416533 0.582520 1 Si Si69 1 0.583298 0.416652 0.916662 1 Si Si70 1 0.583460 0.749549 0.250043 1 Si Si71 1 0.583318 0.749988 0.583331 1 Si Si72 1 0.582238 0.750192 0.916284 1 Si Si73 1 0.917384 0.084334 0.248937 1 Si Si74 1 0.916654 0.083336 0.583328 1 Si Si75 1 0.916459 0.083654 0.917095 1 Si Si76 1 0.918343 0.416445 0.248429 1 Si Si77 1 0.916657 0.416660 0.583324 1 Si Si78 1 0.908702 0.418078 0.909026 1 Si Si79 1 0.916455 0.749868 0.249894 1 Si Si80 1 0.916480 0.750028 0.583054 1 Si Si81 1 0.916064 0.750543 0.916168 1 Si Si82 1 0.002171 0.168768 0.167147 1 Si Si83 1 0.999926 0.166547 0.500031 1 Si Si84 1 0.000290 0.167413 0.834549 1 Si Si85 1 0.994836 0.506078 0.164470 1 Si Si86 1 0.000069 0.499916 0.499945 1 Si Si87 1 0.998441 0.500324 0.831763 1 Si Si88 1 0.999904 0.833260 0.166708 1 Si Si89 1 0.999898 0.833264 0.500014 1 Si Si90 1 0.999897 0.833463 0.833231 1 Si Si91 1 0.338063 0.161173 0.168369 1 Si Si92 1 0.333704 0.165914 0.501269 1 Si Si93 1 0.332929 0.166554 0.833721 1 Si Si94 1 0.332445 0.499090 0.166592 1 Si Si95 1 0.332756 0.499568 0.499211 1 Si Si96 1 0.332460 0.498791 0.834571 1 Si Si97 1 0.333341 0.833191 0.166651 1 Si Si98 1 0.333353 0.832259 0.500626 1 Si Si99 1 0.332804 0.832802 0.833559 1 Si Si100 1 0.666633 0.166553 0.166704 1 Si Si101 1 0.666789 0.166647 0.500047 1 Si Si102 1 0.666673 0.166570 0.833462 1 Si Si103 1 0.666664 0.499905 0.166597 1 Si Si104 1 0.666055 0.499733 0.499604 1 Si Si105 1 0.665469 0.500116 0.832504 1 Si Si106 1 0.666382 0.833434 0.166796 1 Si Si107 1 0.666639 0.833274 0.499935 1 Si Si108 1 0.666517 0.833255 0.833364 1 Si Si109 1 0.086945 0.241481 0.258920 1 Si Si110 1 0.083328 0.249990 0.583335 1 Si Si111 1 0.082236 0.252329 0.918149 1 Si Si112 1 0.082558 0.583312 0.249075 1 Si Si113 1 0.083323 0.583328 0.583329 1 Si Si114 1 0.081645 0.584760 0.914716 1 Si Si115 1 0.083326 0.916661 0.250004 1 Si Si116 1 0.082957 0.915105 0.585004 1 Si Si117 1 0.083324 0.916672 0.916675 1 Si Si118 1 0.417428 0.249082 0.250454 1 Si Si119 1 0.416930 0.249499 0.584144 1 Si Si120 1 0.416394 0.250064 0.916851 1 Si Si121 1 0.415934 0.582801 0.249356 1 Si Si122 1 0.415803 0.582808 0.583006 1 Si Si123 1 0.415954 0.582907 0.916991 1 Si Si124 1 0.417180 0.915495 0.250380 1 Si Si125 1 0.416618 0.916568 0.583366 1 Si Si126 1 0.416027 0.916638 0.916552 1 Si Si127 1 0.750012 0.250003 0.249989 1 Si Si128 1 0.750005 0.249992 0.583325 1 Si Si129 1 0.749969 0.249849 0.916689 1 Si Si130 1 0.750197 0.582854 0.250156 1 Si Si131 1 0.749296 0.583282 0.582748 1 Si Si132 1 0.748214 0.583960 0.915962 1 Si Si133 1 0.750007 0.916662 0.249994 1 Si Si134 1 0.749995 0.916659 0.583327 1 Si Si135 1 0.749988 0.916676 0.916665 1 Si Si136 1 0.166713 0.999911 0.166771 1 Si Si137 1 0.166734 0.996988 0.502719 1 Si Si138 1 0.166579 0.000233 0.833602 1 Si Si139 1 0.176894 0.316271 0.178901 1 Si Si140 1 0.166730 0.333164 0.499996 1 Si Si141 1 0.166284 0.333206 0.833524 1 Si Si142 1 0.166493 0.666679 0.166673 1 Si Si143 1 0.166567 0.666432 0.499857 1 Si Si144 1 0.165677 0.666945 0.832598 1 Si Si145 1 0.501528 0.997917 0.166991 1 Si Si146 1 0.499976 0.999890 0.500066 1 Si Si147 1 0.499891 0.999862 0.833481 1 Si Si148 1 0.499904 0.333206 0.166756 1 Si Si149 1 0.499661 0.332770 0.500094 1 Si Si150 1 0.499975 0.333168 0.833440 1 Si Si151 1 0.499869 0.666495 0.166700 1 Si Si152 1 0.499832 0.666132 0.500315 1 Si Si153 1 0.498964 0.666459 0.833298 1 Si Si154 1 0.833448 0.000102 0.166776 1 Si Si155 1 0.833384 0.999954 0.499946 1 Si Si156 1 0.833377 0.000091 0.833440 1 Si Si157 1 0.833499 0.333382 0.166472 1 Si Si158 1 0.833475 0.333170 0.499874 1 Si Si159 1 0.828392 0.332855 0.828549 1 Si Si160 1 0.830753 0.668602 0.166427 1 Si Si161 1 0.833139 0.666560 0.499860 1 Si Si162 1 0.833025 0.666564 0.833197 1 Si Si163 1 0.083429 0.083683 0.083880 1 Si Si164 1 0.082893 0.078759 0.420962 1 Si Si165 1 0.082810 0.083638 0.750603 1 Si Si166 1 0.066815 0.426689 0.070049 1 Si Si167 1 0.083334 0.416505 0.416627 1 Si Si168 1 0.083274 0.416662 0.750007 1 Si Si169 1 0.083186 0.749940 0.083288 1 Si Si170 1 0.083316 0.749996 0.416671 1 Si Si171 1 0.082974 0.749984 0.749870 1 Si Si172 1 0.419251 0.080064 0.083508 1 Si Si173 1 0.416566 0.083052 0.416829 1 Si Si174 1 0.416426 0.083138 0.750421 1 Si Si175 1 0.416648 0.416620 0.083361 1 Si Si176 1 0.416719 0.415508 0.417049 1 Si Si177 1 0.416207 0.416443 0.750436 1 Si Si178 1 0.416655 0.749985 0.083331 1 Si Si179 1 0.416480 0.749026 0.416924 1 Si Si180 1 0.416104 0.749839 0.749839 1 Si Si181 1 0.750009 0.083344 0.083326 1 Si Si182 1 0.750013 0.083330 0.416661 1 Si Si183 1 0.749996 0.083330 0.750009 1 Si Si184 1 0.749993 0.416664 0.083321 1 Si Si185 1 0.750018 0.416660 0.416648 1 Si Si186 1 0.746742 0.416887 0.746965 1 Si Si187 1 0.748436 0.751028 0.082997 1 Si Si188 1 0.749896 0.749865 0.416580 1 Si Si189 1 0.749982 0.749997 0.749995 1 Si Si190 1 0.166370 0.168695 0.002043 1 Si Si191 1 0.168146 0.159203 0.340459 1 Si Si192 1 0.166408 0.166518 0.666949 1 Si Si193 1 0.164792 0.502779 0.997646 1 Si Si194 1 0.166002 0.499065 0.332160 1 Si Si195 1 0.166565 0.499890 0.666696 1 Si Si196 1 0.166579 0.833231 0.000040 1 Si Si197 1 0.166603 0.833209 0.333369 1 Si Si198 1 0.166453 0.832597 0.667410 1 Si Si199 1 0.499914 0.166386 0.000177 1 Si Si200 1 0.500381 0.166242 0.333760 1 Si Si201 1 0.500086 0.166305 0.667255 1 Si Si202 1 0.499932 0.499933 0.000094 1 Si Si203 1 0.499166 0.499407 0.333061 1 Si Si204 1 0.499080 0.499665 0.666434 1 Si Si205 1 0.499562 0.833515 0.999943 1 Si Si206 1 0.500199 0.832371 0.333778 1 Si Si207 1 0.499897 0.833230 0.666741 1 Si Si208 1 0.834135 0.167513 0.001197 1 Si Si209 1 0.833524 0.166582 0.333171 1 Si Si210 1 0.833425 0.166563 0.666737 1 Si Si211 1 0.831197 0.500752 0.998519 1 Si Si212 1 0.834387 0.498897 0.332796 1 Si Si213 1 0.832524 0.499987 0.665892 1 Si Si214 1 0.833067 0.833483 0.000056 1 Si Si215 1 0.833281 0.833214 0.333357 1 Si Si216 1 0.833281 0.833302 0.666620 1 N N217 1 0.099359 0.345225 0.120500 1