# generated using pymatgen data_Si216Ag _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 Si216Ag _chemical_formula_sum 'Si216 Ag1' _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 0.253666 0.249974 0.083370 1 Si Si2 1 0.250216 0.250006 0.417294 1 Si Si3 1 0.250295 0.249930 0.749385 1 Si Si4 1 0.250266 0.583919 0.083338 1 Si Si5 1 0.250339 0.584103 0.417492 1 Si Si6 1 0.250054 0.583514 0.749788 1 Si Si7 1 0.250322 0.916016 0.083266 1 Si Si8 1 0.250068 0.916403 0.416722 1 Si Si9 1 0.250371 0.915943 0.749298 1 Si Si10 1 0.583418 0.249910 0.083452 1 Si Si11 1 0.583369 0.250102 0.416876 1 Si Si12 1 0.583285 0.249977 0.749784 1 Si Si13 1 0.583330 0.583604 0.083238 1 Si Si14 1 0.583417 0.583277 0.416848 1 Si Si15 1 0.583330 0.583322 0.749900 1 Si Si16 1 0.583342 0.916367 0.083402 1 Si Si17 1 0.583186 0.916488 0.416858 1 Si Si18 1 0.583439 0.916611 0.749679 1 Si Si19 1 0.913009 0.250007 0.083357 1 Si Si20 1 0.916446 0.249976 0.417252 1 Si Si21 1 0.916437 0.250093 0.749399 1 Si Si22 1 0.916454 0.584043 0.083271 1 Si Si23 1 0.916620 0.583582 0.416785 1 Si Si24 1 0.916350 0.584072 0.749170 1 Si Si25 1 0.916336 0.916032 0.083290 1 Si Si26 1 0.916345 0.915939 0.417467 1 Si Si27 1 0.916591 0.916669 0.749768 1 Si Si28 1 0.999084 0.998974 0.999087 1 Si Si29 1 0.000433 0.998564 0.334707 1 Si Si30 1 0.999910 0.999903 0.666455 1 Si Si31 1 0.994867 0.338512 0.994917 1 Si Si32 1 0.999157 0.334243 0.334347 1 Si Si33 1 0.999916 0.333457 0.666393 1 Si Si34 1 0.999961 0.667002 0.999874 1 Si Si35 1 0.999867 0.667021 0.333600 1 Si Si36 1 0.999933 0.667064 0.666256 1 Si Si37 1 0.334826 0.998621 0.000488 1 Si Si38 1 0.333659 0.999598 0.333597 1 Si Si39 1 0.333495 0.999805 0.666422 1 Si Si40 1 0.334384 0.334175 0.999134 1 Si Si41 1 0.334682 0.332898 0.334767 1 Si Si42 1 0.333636 0.333393 0.666429 1 Si Si43 1 0.333565 0.666839 0.999760 1 Si Si44 1 0.333543 0.666792 0.333526 1 Si Si45 1 0.333417 0.666819 0.666628 1 Si Si46 1 0.666416 0.999660 0.999901 1 Si Si47 1 0.666470 0.999786 0.333627 1 Si Si48 1 0.666606 0.000006 0.666452 1 Si Si49 1 0.666437 0.333360 0.000002 1 Si Si50 1 0.666456 0.333506 0.333551 1 Si Si51 1 0.666282 0.333334 0.666368 1 Si Si52 1 0.666316 0.667056 0.999895 1 Si Si53 1 0.666539 0.666577 0.333445 1 Si Si54 1 0.666751 0.666611 0.666684 1 Si Si55 1 0.250391 0.082926 0.250335 1 Si Si56 1 0.250074 0.083090 0.583304 1 Si Si57 1 0.254194 0.079183 0.912574 1 Si Si58 1 0.254050 0.420737 0.254131 1 Si Si59 1 0.250169 0.416835 0.583406 1 Si Si60 1 0.250393 0.417024 0.916294 1 Si Si61 1 0.250208 0.749865 0.250101 1 Si Si62 1 0.250184 0.750114 0.583344 1 Si Si63 1 0.250144 0.750001 0.916408 1 Si Si64 1 0.583338 0.083119 0.250293 1 Si Si65 1 0.583321 0.083247 0.583171 1 Si Si66 1 0.583362 0.083112 0.916509 1 Si Si67 1 0.583392 0.416866 0.250064 1 Si Si68 1 0.583218 0.416815 0.583418 1 Si Si69 1 0.583286 0.416776 0.916661 1 Si Si70 1 0.583242 0.749864 0.250243 1 Si Si71 1 0.583484 0.749887 0.583362 1 Si Si72 1 0.583346 0.750050 0.916328 1 Si Si73 1 0.912512 0.079115 0.254088 1 Si Si74 1 0.916582 0.083421 0.583357 1 Si Si75 1 0.916252 0.083004 0.916298 1 Si Si76 1 0.916306 0.417088 0.250378 1 Si Si77 1 0.916534 0.416829 0.583241 1 Si Si78 1 0.912541 0.420831 0.912540 1 Si Si79 1 0.916506 0.750109 0.250111 1 Si Si80 1 0.916413 0.750095 0.583272 1 Si Si81 1 0.916516 0.750024 0.916417 1 Si Si82 1 0.994867 0.161472 0.171807 1 Si Si83 1 0.000030 0.166690 0.500228 1 Si Si84 1 0.999129 0.165847 0.832368 1 Si Si85 1 0.999136 0.501098 0.167553 1 Si Si86 1 0.999877 0.500338 0.500189 1 Si Si87 1 0.000441 0.501427 0.831931 1 Si Si88 1 0.999918 0.833131 0.166668 1 Si Si89 1 0.000037 0.833099 0.500401 1 Si Si90 1 0.999837 0.833174 0.832966 1 Si Si91 1 0.334438 0.165797 0.167598 1 Si Si92 1 0.333514 0.166471 0.500223 1 Si Si93 1 0.334772 0.167052 0.831944 1 Si Si94 1 0.334686 0.501326 0.166256 1 Si Si95 1 0.333508 0.500199 0.500299 1 Si Si96 1 0.333641 0.500300 0.832955 1 Si Si97 1 0.333631 0.832974 0.166712 1 Si Si98 1 0.333460 0.833249 0.499986 1 Si Si99 1 0.333576 0.833157 0.833181 1 Si Si100 1 0.666432 0.166489 0.166862 1 Si Si101 1 0.666395 0.166789 0.500297 1 Si Si102 1 0.666411 0.166526 0.833045 1 Si Si103 1 0.666461 0.500354 0.166712 1 Si Si104 1 0.666574 0.499992 0.500121 1 Si Si105 1 0.666470 0.500045 0.833284 1 Si Si106 1 0.666284 0.832891 0.166752 1 Si Si107 1 0.666674 0.833264 0.500022 1 Si Si108 1 0.666611 0.833337 0.833069 1 Si Si109 1 0.083313 0.249949 0.253613 1 Si Si110 1 0.083417 0.250121 0.583339 1 Si Si111 1 0.083383 0.250038 0.913060 1 Si Si112 1 0.083370 0.584031 0.250271 1 Si Si113 1 0.083306 0.583624 0.583296 1 Si Si114 1 0.083313 0.583984 0.916396 1 Si Si115 1 0.083319 0.916029 0.250218 1 Si Si116 1 0.083348 0.916530 0.583452 1 Si Si117 1 0.083339 0.916068 0.916362 1 Si Si118 1 0.417326 0.250094 0.250309 1 Si Si119 1 0.416840 0.249902 0.583272 1 Si Si120 1 0.417319 0.249875 0.916491 1 Si Si121 1 0.417423 0.583977 0.250335 1 Si Si122 1 0.416798 0.583457 0.583578 1 Si Si123 1 0.416826 0.583492 0.916470 1 Si Si124 1 0.416805 0.916336 0.250057 1 Si Si125 1 0.416790 0.916562 0.583125 1 Si Si126 1 0.417501 0.915921 0.916370 1 Si Si127 1 0.749406 0.249947 0.250276 1 Si Si128 1 0.749793 0.250139 0.583310 1 Si Si129 1 0.749365 0.250030 0.916396 1 Si Si130 1 0.749870 0.583565 0.249974 1 Si Si131 1 0.749904 0.583401 0.583174 1 Si Si132 1 0.749254 0.584106 0.916313 1 Si Si133 1 0.749184 0.915857 0.250387 1 Si Si134 1 0.749886 0.916663 0.583291 1 Si Si135 1 0.749792 0.916551 0.916486 1 Si Si136 1 0.167586 0.998928 0.167504 1 Si Si137 1 0.166787 0.999623 0.500169 1 Si Si138 1 0.166272 0.998639 0.831967 1 Si Si139 1 0.171715 0.338380 0.171737 1 Si Si140 1 0.166794 0.333486 0.500244 1 Si Si141 1 0.167568 0.334207 0.832274 1 Si Si142 1 0.166734 0.666908 0.166668 1 Si Si143 1 0.166664 0.667085 0.500347 1 Si Si144 1 0.166756 0.666919 0.832986 1 Si Si145 1 0.500265 0.999631 0.166902 1 Si Si146 1 0.500002 0.999981 0.499976 1 Si Si147 1 0.500240 0.999804 0.833113 1 Si Si148 1 0.500289 0.333410 0.166725 1 Si Si149 1 0.500281 0.333305 0.500348 1 Si Si150 1 0.500245 0.333383 0.833160 1 Si Si151 1 0.500281 0.666915 0.166640 1 Si Si152 1 0.500119 0.666567 0.500134 1 Si Si153 1 0.500086 0.666713 0.833120 1 Si Si154 1 0.831865 0.998518 0.166234 1 Si Si155 1 0.833298 0.999987 0.500229 1 Si Si156 1 0.832961 0.999768 0.832951 1 Si Si157 1 0.832310 0.334240 0.167573 1 Si Si158 1 0.833067 0.333508 0.500128 1 Si Si159 1 0.831940 0.332925 0.831954 1 Si Si160 1 0.833067 0.666998 0.166719 1 Si Si161 1 0.833190 0.666746 0.500008 1 Si Si162 1 0.833194 0.666857 0.833107 1 Si Si163 1 0.083352 0.079640 0.083304 1 Si Si164 1 0.083286 0.083031 0.417275 1 Si Si165 1 0.083412 0.083166 0.749445 1 Si Si166 1 0.083305 0.420312 0.083344 1 Si Si167 1 0.083384 0.416976 0.417279 1 Si Si168 1 0.083290 0.416945 0.749379 1 Si Si169 1 0.083391 0.750106 0.083246 1 Si Si170 1 0.083326 0.750095 0.416908 1 Si Si171 1 0.083275 0.750036 0.749718 1 Si Si172 1 0.417384 0.083056 0.083394 1 Si Si173 1 0.416772 0.083273 0.416755 1 Si Si174 1 0.417428 0.082964 0.749197 1 Si Si175 1 0.417295 0.416924 0.083368 1 Si Si176 1 0.417367 0.416988 0.417484 1 Si Si177 1 0.416831 0.416604 0.749919 1 Si Si178 1 0.416881 0.749871 0.083214 1 Si Si179 1 0.416846 0.749934 0.416902 1 Si Si180 1 0.416866 0.749992 0.749794 1 Si Si181 1 0.749338 0.083033 0.083393 1 Si Si182 1 0.749293 0.083055 0.417448 1 Si Si183 1 0.749814 0.083353 0.749739 1 Si Si184 1 0.749410 0.416953 0.083301 1 Si Si185 1 0.749834 0.416806 0.416749 1 Si Si186 1 0.749237 0.416983 0.749247 1 Si Si187 1 0.749731 0.750041 0.083252 1 Si Si188 1 0.749797 0.749836 0.416714 1 Si Si189 1 0.749965 0.750155 0.749802 1 Si Si190 1 0.171878 0.161526 0.994910 1 Si Si191 1 0.167540 0.165737 0.334342 1 Si Si192 1 0.166758 0.166606 0.666403 1 Si Si193 1 0.167539 0.501008 0.999108 1 Si Si194 1 0.166248 0.501452 0.334740 1 Si Si195 1 0.166749 0.500317 0.666413 1 Si Si196 1 0.166793 0.833137 0.999827 1 Si Si197 1 0.166813 0.833016 0.333507 1 Si Si198 1 0.166682 0.833071 0.666407 1 Si Si199 1 0.500337 0.166531 0.999989 1 Si Si200 1 0.500257 0.166596 0.333650 1 Si Si201 1 0.500318 0.166656 0.666297 1 Si Si202 1 0.500180 0.500323 0.999868 1 Si Si203 1 0.500200 0.500057 0.333503 1 Si Si204 1 0.500020 0.500051 0.666741 1 Si Si205 1 0.500378 0.832954 0.999987 1 Si Si206 1 0.500026 0.833169 0.333518 1 Si Si207 1 0.500085 0.833309 0.666471 1 Si Si208 1 0.832259 0.165797 0.999164 1 Si Si209 1 0.831993 0.167081 0.334702 1 Si Si210 1 0.833054 0.166680 0.666433 1 Si Si211 1 0.831965 0.501454 0.000441 1 Si Si212 1 0.833016 0.500423 0.333624 1 Si Si213 1 0.833183 0.500117 0.666420 1 Si Si214 1 0.833006 0.833113 0.999744 1 Si Si215 1 0.833157 0.833130 0.333541 1 Si Si216 1 0.833241 0.833429 0.666543 1 Ag Ag217 1 0.083199 0.249805 0.083208 1