# 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 0.254910 0.249016 0.081689 1 Si Si2 1 0.252194 0.250123 0.419730 1 Si Si3 1 0.250222 0.249886 0.750262 1 Si Si4 1 0.250160 0.583338 0.083427 1 Si Si5 1 0.249545 0.582215 0.415749 1 Si Si6 1 0.250134 0.583282 0.750406 1 Si Si7 1 0.250738 0.916303 0.083188 1 Si Si8 1 0.250055 0.916403 0.416750 1 Si Si9 1 0.250332 0.915776 0.749507 1 Si Si10 1 0.583420 0.249869 0.083180 1 Si Si11 1 0.583343 0.249885 0.416898 1 Si Si12 1 0.583458 0.249911 0.749722 1 Si Si13 1 0.583300 0.583574 0.083383 1 Si Si14 1 0.582893 0.583272 0.416154 1 Si Si15 1 0.583087 0.583297 0.749981 1 Si Si16 1 0.583412 0.916388 0.083347 1 Si Si17 1 0.583726 0.916716 0.416114 1 Si Si18 1 0.583533 0.916545 0.750006 1 Si Si19 1 0.912357 0.251085 0.082076 1 Si Si20 1 0.914309 0.249842 0.419923 1 Si Si21 1 0.916487 0.249961 0.750306 1 Si Si22 1 0.915877 0.583561 0.083296 1 Si Si23 1 0.916507 0.583554 0.416915 1 Si Si24 1 0.916360 0.584141 0.749583 1 Si Si25 1 0.916568 0.916236 0.083366 1 Si Si26 1 0.917117 0.917698 0.415796 1 Si Si27 1 0.916628 0.916580 0.750423 1 Si Si28 1 0.999938 0.997601 0.998627 1 Si Si29 1 0.000482 0.002084 0.331652 1 Si Si30 1 0.999983 0.999670 0.666995 1 Si Si31 1 0.998885 0.334399 0.999614 1 Si Si32 1 0.997085 0.336221 0.340572 1 Si Si33 1 0.999838 0.333459 0.667028 1 Si Si34 1 0.999871 0.666486 0.999987 1 Si Si35 1 0.999903 0.666833 0.333614 1 Si Si36 1 0.999719 0.667581 0.666408 1 Si Si37 1 0.333212 0.000056 0.999174 1 Si Si38 1 0.332967 0.000291 0.333279 1 Si Si39 1 0.333962 0.999373 0.666669 1 Si Si40 1 0.335653 0.333346 0.998631 1 Si Si41 1 0.331206 0.332841 0.331623 1 Si Si42 1 0.333623 0.333290 0.667011 1 Si Si43 1 0.333596 0.666648 0.000172 1 Si Si44 1 0.332820 0.665907 0.332602 1 Si Si45 1 0.333314 0.666355 0.666383 1 Si Si46 1 0.666639 0.999690 0.000147 1 Si Si47 1 0.667393 0.000501 0.332609 1 Si Si48 1 0.666926 0.999928 0.666443 1 Si Si49 1 0.666740 0.333404 0.999981 1 Si Si50 1 0.666374 0.333334 0.333638 1 Si Si51 1 0.665740 0.333562 0.666412 1 Si Si52 1 0.666450 0.666809 0.999944 1 Si Si53 1 0.666560 0.666731 0.332818 1 Si Si54 1 0.666501 0.666783 0.666480 1 Si Si55 1 0.249479 0.083807 0.250070 1 Si Si56 1 0.250436 0.082883 0.584057 1 Si Si57 1 0.250091 0.083178 0.915417 1 Si Si58 1 0.244292 0.410845 0.246551 1 Si Si59 1 0.250197 0.416816 0.584115 1 Si Si60 1 0.249685 0.416204 0.917090 1 Si Si61 1 0.249852 0.749926 0.249726 1 Si Si62 1 0.250160 0.749308 0.582739 1 Si Si63 1 0.250105 0.749725 0.916825 1 Si Si64 1 0.583345 0.083411 0.249713 1 Si Si65 1 0.584016 0.083077 0.582763 1 Si Si66 1 0.583576 0.083211 0.916832 1 Si Si67 1 0.583353 0.416457 0.249770 1 Si Si68 1 0.582668 0.416806 0.582805 1 Si Si69 1 0.583215 0.416637 0.916872 1 Si Si70 1 0.583261 0.750075 0.249775 1 Si Si71 1 0.583338 0.749961 0.583031 1 Si Si72 1 0.583242 0.749975 0.916721 1 Si Si73 1 0.922453 0.088985 0.246588 1 Si Si74 1 0.916495 0.083108 0.584095 1 Si Si75 1 0.917083 0.083621 0.917117 1 Si Si76 1 0.916935 0.416347 0.250372 1 Si Si77 1 0.916253 0.417050 0.584151 1 Si Si78 1 0.916374 0.416920 0.915408 1 Si Si79 1 0.916812 0.749871 0.249777 1 Si Si80 1 0.916443 0.750665 0.582837 1 Si Si81 1 0.916663 0.750045 0.916900 1 Si Si82 1 0.016717 0.183007 0.155095 1 Si Si83 1 0.999854 0.166497 0.500966 1 Si Si84 1 0.000414 0.166954 0.833346 1 Si Si85 1 0.999306 0.501274 0.167019 1 Si Si86 1 0.999526 0.501551 0.501878 1 Si Si87 1 0.999420 0.500635 0.832416 1 Si Si88 1 0.000273 0.833271 0.166640 1 Si Si89 1 0.000155 0.834001 0.499411 1 Si Si90 1 0.000112 0.832673 0.832879 1 Si Si91 1 0.334789 0.166051 0.166946 1 Si Si92 1 0.334848 0.166204 0.501724 1 Si Si93 1 0.334020 0.165966 0.832387 1 Si Si94 1 0.330372 0.496821 0.166298 1 Si Si95 1 0.332921 0.499547 0.499350 1 Si Si96 1 0.333194 0.499755 0.833693 1 Si Si97 1 0.333628 0.833038 0.166532 1 Si Si98 1 0.333516 0.832872 0.499522 1 Si Si99 1 0.333543 0.833022 0.833380 1 Si Si100 1 0.666861 0.166793 0.166621 1 Si Si101 1 0.667435 0.166767 0.499409 1 Si Si102 1 0.666306 0.166663 0.832960 1 Si Si103 1 0.666401 0.500291 0.166601 1 Si Si104 1 0.666172 0.500202 0.499589 1 Si Si105 1 0.666372 0.500150 0.833405 1 Si Si106 1 0.667330 0.833974 0.166330 1 Si Si107 1 0.666789 0.833480 0.499412 1 Si Si108 1 0.666744 0.833375 0.833323 1 Si Si109 1 0.082979 0.250309 0.268661 1 Si Si110 1 0.083329 0.249955 0.584133 1 Si Si111 1 0.083390 0.249890 0.917589 1 Si Si112 1 0.083062 0.583516 0.250504 1 Si Si113 1 0.083367 0.584162 0.584388 1 Si Si114 1 0.082975 0.583919 0.915677 1 Si Si115 1 0.083592 0.916248 0.250524 1 Si Si116 1 0.083288 0.915760 0.584304 1 Si Si117 1 0.083823 0.915691 0.915458 1 Si Si118 1 0.417022 0.249711 0.250507 1 Si Si119 1 0.417538 0.249984 0.584315 1 Si Si120 1 0.417562 0.249464 0.915462 1 Si Si121 1 0.415186 0.581747 0.249504 1 Si Si122 1 0.416476 0.583137 0.582996 1 Si Si123 1 0.416579 0.583131 0.916965 1 Si Si124 1 0.416411 0.916864 0.249955 1 Si Si125 1 0.417000 0.916271 0.582989 1 Si Si126 1 0.416869 0.916432 0.916843 1 Si Si127 1 0.749718 0.250223 0.250503 1 Si Si128 1 0.749123 0.249894 0.584371 1 Si Si129 1 0.749344 0.250330 0.915662 1 Si Si130 1 0.750083 0.583170 0.250073 1 Si Si131 1 0.749636 0.583635 0.583035 1 Si Si132 1 0.749727 0.583537 0.916821 1 Si Si133 1 0.751586 0.918134 0.249531 1 Si Si134 1 0.750149 0.916810 0.583016 1 Si Si135 1 0.750179 0.916697 0.916962 1 Si Si136 1 0.167240 0.998480 0.166950 1 Si Si137 1 0.167105 0.998445 0.501756 1 Si Si138 1 0.167318 0.999249 0.832377 1 Si Si139 1 0.150275 0.316565 0.155112 1 Si Si140 1 0.166803 0.333433 0.500988 1 Si Si141 1 0.166327 0.332870 0.833345 1 Si Si142 1 0.166474 0.666411 0.166633 1 Si Si143 1 0.166471 0.665866 0.499413 1 Si Si144 1 0.166623 0.666991 0.832984 1 Si Si145 1 0.500248 0.999645 0.166528 1 Si Si146 1 0.500426 0.999749 0.499541 1 Si Si147 1 0.500287 0.999773 0.833399 1 Si Si148 1 0.499983 0.333013 0.166610 1 Si Si149 1 0.499306 0.333088 0.499415 1 Si Si150 1 0.500588 0.333166 0.832871 1 Si Si151 1 0.499359 0.666010 0.166328 1 Si Si152 1 0.499828 0.666505 0.499434 1 Si Si153 1 0.499870 0.666526 0.833261 1 Si Si154 1 0.836501 0.002925 0.166285 1 Si Si155 1 0.833745 0.000368 0.499383 1 Si Si156 1 0.833556 0.000111 0.833703 1 Si Si157 1 0.832001 0.333968 0.167037 1 Si Si158 1 0.831723 0.333773 0.501887 1 Si Si159 1 0.832658 0.333879 0.832414 1 Si Si160 1 0.832967 0.666846 0.166603 1 Si Si161 1 0.833064 0.667139 0.499624 1 Si Si162 1 0.833150 0.666905 0.833422 1 Si Si163 1 0.084259 0.078349 0.081684 1 Si Si164 1 0.083209 0.081106 0.419752 1 Si Si165 1 0.083389 0.083040 0.750250 1 Si Si166 1 0.082197 0.420914 0.082071 1 Si Si167 1 0.083478 0.418974 0.419919 1 Si Si168 1 0.083328 0.416807 0.750320 1 Si Si169 1 0.083377 0.749814 0.083187 1 Si Si170 1 0.083272 0.749877 0.416903 1 Si Si171 1 0.083375 0.749832 0.749726 1 Si Si172 1 0.416957 0.082530 0.083197 1 Si Si173 1 0.416855 0.083171 0.416770 1 Si Si174 1 0.417544 0.082985 0.749524 1 Si Si175 1 0.417004 0.416730 0.083362 1 Si Si176 1 0.415622 0.416163 0.415789 1 Si Si177 1 0.416718 0.416664 0.750409 1 Si Si178 1 0.416903 0.749886 0.083362 1 Si Si179 1 0.416582 0.749562 0.416127 1 Si Si180 1 0.416665 0.749743 0.749951 1 Si Si181 1 0.749941 0.083109 0.083402 1 Si Si182 1 0.751113 0.083735 0.415755 1 Si Si183 1 0.750032 0.083147 0.750392 1 Si Si184 1 0.749690 0.417376 0.083304 1 Si Si185 1 0.749715 0.416736 0.416882 1 Si Si186 1 0.749168 0.416959 0.749577 1 Si Si187 1 0.749690 0.749952 0.083396 1 Si Si188 1 0.750022 0.750400 0.416139 1 Si Si189 1 0.749948 0.750190 0.750015 1 Si Si190 1 0.167637 0.165642 0.000049 1 Si Si191 1 0.169211 0.164098 0.340120 1 Si Si192 1 0.166850 0.166430 0.666971 1 Si Si193 1 0.166659 0.501757 0.998928 1 Si Si194 1 0.166206 0.497750 0.331627 1 Si Si195 1 0.166686 0.500225 0.667048 1 Si Si196 1 0.166841 0.833216 0.999944 1 Si Si197 1 0.166705 0.832903 0.333625 1 Si Si198 1 0.166912 0.832308 0.666395 1 Si Si199 1 0.500028 0.166431 0.999935 1 Si Si200 1 0.500304 0.166518 0.333590 1 Si Si201 1 0.501016 0.166360 0.666386 1 Si Si202 1 0.500185 0.500229 0.000167 1 Si Si203 1 0.499324 0.499416 0.332649 1 Si Si204 1 0.499686 0.499959 0.666406 1 Si Si205 1 0.500130 0.833161 0.999975 1 Si Si206 1 0.499936 0.833357 0.332801 1 Si Si207 1 0.500143 0.833132 0.666440 1 Si Si208 1 0.831516 0.166648 0.998930 1 Si Si209 1 0.835532 0.167120 0.331623 1 Si Si210 1 0.833082 0.166593 0.667021 1 Si Si211 1 0.833293 0.499950 0.999294 1 Si Si212 1 0.833455 0.499820 0.333483 1 Si Si213 1 0.832738 0.500584 0.666742 1 Si Si214 1 0.833042 0.833064 0.000181 1 Si Si215 1 0.833912 0.833961 0.332652 1 Si Si216 1 0.833293 0.833616 0.666461 1 O O217 1 0.084823 0.248478 0.104701 1