# generated using pymatgen data_Si216O _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 Si216O _chemical_formula_sum 'Si216 O1' _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 0.257899 0.252562 0.075551 1 Si Si2 1 0.248842 0.249468 0.416071 1 Si Si3 1 0.250240 0.249706 0.749552 1 Si Si4 1 0.251187 0.584804 0.081879 1 Si Si5 1 0.249698 0.582514 0.416038 1 Si Si6 1 0.250380 0.583804 0.748669 1 Si Si7 1 0.249774 0.916678 0.083255 1 Si Si8 1 0.249932 0.916538 0.416072 1 Si Si9 1 0.249974 0.916800 0.749664 1 Si Si10 1 0.583614 0.249647 0.082848 1 Si Si11 1 0.583218 0.249565 0.416407 1 Si Si12 1 0.584320 0.249445 0.748892 1 Si Si13 1 0.584374 0.583634 0.082739 1 Si Si14 1 0.583222 0.582530 0.416140 1 Si Si15 1 0.583697 0.583021 0.749424 1 Si Si16 1 0.583419 0.916667 0.082966 1 Si Si17 1 0.582640 0.915905 0.416593 1 Si Si18 1 0.583236 0.916255 0.749778 1 Si Si19 1 0.917475 0.249327 0.084801 1 Si Si20 1 0.913028 0.247676 0.420015 1 Si Si21 1 0.916751 0.249560 0.750031 1 Si Si22 1 0.917143 0.582564 0.083334 1 Si Si23 1 0.916946 0.582674 0.416195 1 Si Si24 1 0.916837 0.582548 0.749839 1 Si Si25 1 0.916891 0.916346 0.083134 1 Si Si26 1 0.915669 0.914644 0.417506 1 Si Si27 1 0.916488 0.916018 0.750358 1 Si Si28 1 0.000652 0.000564 0.000443 1 Si Si29 1 0.998635 0.997435 0.334360 1 Si Si30 1 0.999865 0.999129 0.667270 1 Si Si31 1 0.001600 0.333045 0.000827 1 Si Si32 1 0.995117 0.331502 0.338235 1 Si Si33 1 0.999994 0.332892 0.666556 1 Si Si34 1 0.000303 0.666240 0.999671 1 Si Si35 1 0.000173 0.666230 0.332968 1 Si Si36 1 0.000134 0.665945 0.666602 1 Si Si37 1 0.333113 0.000094 0.999970 1 Si Si38 1 0.332846 0.000517 0.332379 1 Si Si39 1 0.333293 0.999852 0.666170 1 Si Si40 1 0.339309 0.335361 0.993753 1 Si Si41 1 0.332748 0.332822 0.331997 1 Si Si42 1 0.333536 0.333034 0.666151 1 Si Si43 1 0.334305 0.667733 0.998803 1 Si Si44 1 0.333257 0.666090 0.332739 1 Si Si45 1 0.333744 0.666803 0.665520 1 Si Si46 1 0.666884 0.999812 0.999635 1 Si Si47 1 0.665769 0.999019 0.333297 1 Si Si48 1 0.666465 0.999596 0.666632 1 Si Si49 1 0.667038 0.333019 0.999621 1 Si Si50 1 0.666628 0.332885 0.333066 1 Si Si51 1 0.666787 0.333140 0.666419 1 Si Si52 1 0.667489 0.666742 0.999391 1 Si Si53 1 0.666522 0.665825 0.332889 1 Si Si54 1 0.666903 0.666252 0.666154 1 Si Si55 1 0.248597 0.084090 0.249718 1 Si Si56 1 0.249796 0.082996 0.582923 1 Si Si57 1 0.249488 0.083708 0.917295 1 Si Si58 1 0.254902 0.421322 0.248309 1 Si Si59 1 0.249985 0.416228 0.582951 1 Si Si60 1 0.251445 0.417659 0.914143 1 Si Si61 1 0.250136 0.749781 0.249593 1 Si Si62 1 0.250019 0.749907 0.582603 1 Si Si63 1 0.250259 0.750595 0.915828 1 Si Si64 1 0.583126 0.082857 0.249730 1 Si Si65 1 0.582622 0.082670 0.583425 1 Si Si66 1 0.583287 0.082910 0.916528 1 Si Si67 1 0.583540 0.416344 0.249545 1 Si Si68 1 0.583627 0.416200 0.582552 1 Si Si69 1 0.584364 0.416545 0.915750 1 Si Si70 1 0.583320 0.749577 0.249760 1 Si Si71 1 0.583247 0.749426 0.582973 1 Si Si72 1 0.583656 0.749918 0.916254 1 Si Si73 1 0.910662 0.076913 0.252063 1 Si Si74 1 0.915793 0.082092 0.584466 1 Si Si75 1 0.917033 0.083238 0.916841 1 Si Si76 1 0.917458 0.415251 0.249568 1 Si Si77 1 0.916859 0.416009 0.582860 1 Si Si78 1 0.917329 0.415700 0.917252 1 Si Si79 1 0.916624 0.749422 0.249775 1 Si Si80 1 0.916388 0.748832 0.583497 1 Si Si81 1 0.916876 0.749487 0.916485 1 Si Si82 1 0.992124 0.158687 0.169380 1 Si Si83 1 0.998959 0.165144 0.501553 1 Si Si84 1 0.000294 0.166540 0.833401 1 Si Si85 1 0.001348 0.499353 0.166171 1 Si Si86 1 0.000429 0.499306 0.499289 1 Si Si87 1 0.000245 0.499395 0.833220 1 Si Si88 1 0.999965 0.832798 0.166448 1 Si Si89 1 0.999760 0.831962 0.500479 1 Si Si90 1 0.000177 0.833072 0.833457 1 Si Si91 1 0.332731 0.168014 0.166036 1 Si Si92 1 0.333004 0.166615 0.499274 1 Si Si93 1 0.333294 0.166433 0.833152 1 Si Si94 1 0.336974 0.503149 0.164460 1 Si Si95 1 0.333205 0.499438 0.499383 1 Si Si96 1 0.334449 0.500775 0.831338 1 Si Si97 1 0.333340 0.833274 0.166267 1 Si Si98 1 0.333319 0.833122 0.499208 1 Si Si99 1 0.333621 0.833678 0.832680 1 Si Si100 1 0.666590 0.166112 0.166406 1 Si Si101 1 0.665760 0.166058 0.500404 1 Si Si102 1 0.666725 0.166346 0.833425 1 Si Si103 1 0.666955 0.499703 0.166283 1 Si Si104 1 0.666936 0.499435 0.499236 1 Si Si105 1 0.667473 0.499913 0.832662 1 Si Si106 1 0.665794 0.832134 0.166127 1 Si Si107 1 0.666440 0.832701 0.499729 1 Si Si108 1 0.666898 0.833092 0.832979 1 Si Si109 1 0.068050 0.233569 0.264060 1 Si Si110 1 0.083072 0.249282 0.583378 1 Si Si111 1 0.083902 0.250158 0.916358 1 Si Si112 1 0.083730 0.583322 0.249405 1 Si Si113 1 0.083389 0.582853 0.582884 1 Si Si114 1 0.083600 0.585622 0.913576 1 Si Si115 1 0.082975 0.916016 0.250099 1 Si Si116 1 0.082846 0.914809 0.584561 1 Si Si117 1 0.083346 0.916792 0.916772 1 Si Si118 1 0.416974 0.250022 0.249318 1 Si Si119 1 0.416596 0.249553 0.582858 1 Si Si120 1 0.420057 0.249709 0.912989 1 Si Si121 1 0.418588 0.584748 0.249335 1 Si Si122 1 0.416791 0.582994 0.582410 1 Si Si123 1 0.417307 0.583580 0.915784 1 Si Si124 1 0.416405 0.916652 0.249624 1 Si Si125 1 0.416397 0.916276 0.582909 1 Si Si126 1 0.416604 0.916911 0.916379 1 Si Si127 1 0.749755 0.249205 0.250034 1 Si Si128 1 0.749010 0.249104 0.584143 1 Si Si129 1 0.750419 0.249519 0.916672 1 Si Si130 1 0.750317 0.582776 0.249656 1 Si Si131 1 0.750055 0.582564 0.582953 1 Si Si132 1 0.750640 0.582962 0.916362 1 Si Si133 1 0.747926 0.914198 0.250281 1 Si Si134 1 0.749597 0.915868 0.583470 1 Si Si135 1 0.750191 0.916274 0.916554 1 Si Si136 1 0.166212 0.999664 0.166882 1 Si Si137 1 0.166521 0.997007 0.502167 1 Si Si138 1 0.166819 0.000030 0.833454 1 Si Si139 1 0.181904 0.347447 0.150186 1 Si Si140 1 0.166415 0.332672 0.500055 1 Si Si141 1 0.167164 0.333354 0.832724 1 Si Si142 1 0.167060 0.666620 0.165989 1 Si Si143 1 0.166759 0.666164 0.499571 1 Si Si144 1 0.167276 0.668004 0.831408 1 Si Si145 1 0.499787 0.999888 0.166219 1 Si Si146 1 0.499487 0.999624 0.499650 1 Si Si147 1 0.499990 0.999849 0.833006 1 Si Si148 1 0.500411 0.333272 0.165923 1 Si Si149 1 0.499856 0.332940 0.499503 1 Si Si150 1 0.502167 0.333565 0.830941 1 Si Si151 1 0.501034 0.667286 0.165784 1 Si Si152 1 0.500098 0.666236 0.499263 1 Si Si153 1 0.500514 0.666755 0.832548 1 Si Si154 1 0.830032 0.996141 0.166358 1 Si Si155 1 0.832821 0.999089 0.500302 1 Si Si156 1 0.833511 0.999729 0.833582 1 Si Si157 1 0.833205 0.332597 0.166789 1 Si Si158 1 0.831460 0.332606 0.501583 1 Si Si159 1 0.833716 0.332982 0.833404 1 Si Si160 1 0.833573 0.666151 0.166281 1 Si Si161 1 0.833344 0.665713 0.499700 1 Si Si162 1 0.833727 0.666214 0.832983 1 Si Si163 1 0.083094 0.084152 0.084936 1 Si Si164 1 0.081280 0.078240 0.421005 1 Si Si165 1 0.083357 0.082953 0.750059 1 Si Si166 1 0.085615 0.423098 0.076816 1 Si Si167 1 0.083430 0.415334 0.416048 1 Si Si168 1 0.083547 0.416394 0.749553 1 Si Si169 1 0.083480 0.749789 0.082893 1 Si Si170 1 0.083346 0.749468 0.416491 1 Si Si171 1 0.083230 0.750241 0.749286 1 Si Si172 1 0.416087 0.083575 0.083455 1 Si Si173 1 0.416370 0.083178 0.416123 1 Si Si174 1 0.416384 0.082954 0.749810 1 Si Si175 1 0.418757 0.417483 0.081764 1 Si Si176 1 0.416106 0.415791 0.415973 1 Si Si177 1 0.417492 0.416614 0.748661 1 Si Si178 1 0.417253 0.750554 0.082789 1 Si Si179 1 0.416475 0.749434 0.416147 1 Si Si180 1 0.416811 0.749947 0.749408 1 Si Si181 1 0.750121 0.082914 0.083138 1 Si Si182 1 0.748497 0.082045 0.417475 1 Si Si183 1 0.749759 0.082712 0.750378 1 Si Si184 1 0.750277 0.416168 0.083188 1 Si Si185 1 0.750378 0.416065 0.416095 1 Si Si186 1 0.750558 0.416207 0.749649 1 Si Si187 1 0.750459 0.749827 0.083040 1 Si Si188 1 0.749588 0.748832 0.416642 1 Si Si189 1 0.750080 0.749423 0.749801 1 Si Si190 1 0.166988 0.168186 0.000867 1 Si Si191 1 0.164597 0.160365 0.339522 1 Si Si192 1 0.166656 0.166209 0.666568 1 Si Si193 1 0.168875 0.504524 0.994755 1 Si Si194 1 0.166661 0.499283 0.332094 1 Si Si195 1 0.166829 0.499793 0.666196 1 Si Si196 1 0.166745 0.833323 0.999696 1 Si Si197 1 0.166632 0.832863 0.333115 1 Si Si198 1 0.166913 0.832687 0.666800 1 Si Si199 1 0.500049 0.166429 0.999666 1 Si Si200 1 0.499898 0.166436 0.332915 1 Si Si201 1 0.499709 0.166342 0.666558 1 Si Si202 1 0.501593 0.500702 0.998754 1 Si Si203 1 0.499795 0.499356 0.332759 1 Si Si204 1 0.500550 0.499947 0.665544 1 Si Si205 1 0.500321 0.833654 0.999362 1 Si Si206 1 0.499571 0.832885 0.332833 1 Si Si207 1 0.500055 0.833103 0.666128 1 Si Si208 1 0.834113 0.166741 0.000339 1 Si Si209 1 0.831330 0.164975 0.334247 1 Si Si210 1 0.832873 0.166102 0.667288 1 Si Si211 1 0.833763 0.499424 0.999911 1 Si Si212 1 0.834082 0.499273 0.332512 1 Si Si213 1 0.833682 0.499462 0.666173 1 Si Si214 1 0.833786 0.833061 0.999645 1 Si Si215 1 0.832655 0.831967 0.333320 1 Si Si216 1 0.833320 0.832733 0.666644 1 O O217 1 0.124161 0.282350 0.198154 1