# generated using pymatgen data_Si215O _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 Si215O _chemical_formula_sum 'Si215 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 0.249703 0.250300 0.415255 1 Si Si2 1 0.249692 0.249699 0.751439 1 Si Si3 1 0.249689 0.581899 0.083651 1 Si Si4 1 0.249113 0.583105 0.416461 1 Si Si5 1 0.250102 0.579929 0.753414 1 Si Si6 1 0.249685 0.918079 0.083049 1 Si Si7 1 0.250113 0.920062 0.413277 1 Si Si8 1 0.249105 0.916877 0.750227 1 Si Si9 1 0.583874 0.249992 0.083353 1 Si Si10 1 0.582880 0.250477 0.416502 1 Si Si11 1 0.582898 0.249520 0.750201 1 Si Si12 1 0.582892 0.583132 0.083818 1 Si Si13 1 0.582691 0.583691 0.417030 1 Si Si14 1 0.582571 0.583007 0.750335 1 Si Si15 1 0.582882 0.916840 0.082869 1 Si Si16 1 0.582565 0.917002 0.416347 1 Si Si17 1 0.582684 0.916305 0.749667 1 Si Si18 1 0.916338 0.249979 0.083371 1 Si Si19 1 0.915732 0.250377 0.417377 1 Si Si20 1 0.915745 0.249615 0.749334 1 Si Si21 1 0.915735 0.584006 0.083722 1 Si Si22 1 0.916765 0.583555 0.416912 1 Si Si23 1 0.916587 0.582787 0.750554 1 Si Si24 1 0.915733 0.915961 0.082968 1 Si Si25 1 0.916554 0.917180 0.416170 1 Si Si26 1 0.916768 0.916440 0.749794 1 Si Si27 1 0.998979 0.999663 0.000339 1 Si Si28 1 0.999884 0.000728 0.332635 1 Si Si29 1 0.000211 0.000176 0.666660 1 Si Si30 1 0.999626 0.333014 0.000322 1 Si Si31 1 0.998975 0.333005 0.333676 1 Si Si32 1 0.000466 0.332965 0.667491 1 Si Si33 1 0.000464 0.665843 0.000385 1 Si Si34 1 0.000214 0.666674 0.333168 1 Si Si35 1 0.999559 0.666359 0.666979 1 Si Si36 1 0.332467 0.001327 0.999034 1 Si Si37 1 0.331539 0.006420 0.326928 1 Si Si38 1 0.332643 0.999866 0.666508 1 Si Si39 1 0.340270 0.320720 0.012601 1 Si Si40 1 0.332476 0.334317 0.331999 1 Si Si41 1 0.332577 0.332778 0.667376 1 Si Si42 1 0.332579 0.665962 0.000565 1 Si Si43 1 0.332653 0.666829 0.333476 1 Si Si44 1 0.332252 0.665150 0.668196 1 Si Si45 1 0.667458 0.999017 0.999689 1 Si Si46 1 0.666167 0.000217 0.333126 1 Si Si47 1 0.665853 0.999905 0.666147 1 Si Si48 1 0.666870 0.333201 0.000125 1 Si Si49 1 0.667455 0.333656 0.334327 1 Si Si50 1 0.665710 0.333222 0.667052 1 Si Si51 1 0.665706 0.666277 0.000121 1 Si Si52 1 0.665861 0.667194 0.333435 1 Si Si53 1 0.666046 0.666429 0.666922 1 Si Si54 1 0.250789 0.094143 0.239193 1 Si Si55 1 0.249615 0.083629 0.583030 1 Si Si56 1 0.246922 0.086242 0.919601 1 Si Si57 1 0.246922 0.413723 0.247076 1 Si Si58 1 0.249627 0.416375 0.583657 1 Si Si59 1 0.250783 0.405841 0.927496 1 Si Si60 1 0.249612 0.750308 0.249726 1 Si Si61 1 0.249637 0.749968 0.583363 1 Si Si62 1 0.249616 0.749689 0.916973 1 Si Si63 1 0.583148 0.083651 0.249694 1 Si Si64 1 0.582235 0.083399 0.582844 1 Si Si65 1 0.585612 0.081956 0.915321 1 Si Si66 1 0.585611 0.418033 0.251396 1 Si Si67 1 0.582226 0.416604 0.583854 1 Si Si68 1 0.583158 0.416330 0.917001 1 Si Si69 1 0.582237 0.750488 0.249937 1 Si Si70 1 0.582874 0.749996 0.583365 1 Si Si71 1 0.582222 0.749476 0.916741 1 Si Si72 1 0.916398 0.083797 0.249542 1 Si Si73 1 0.917116 0.083582 0.582725 1 Si Si74 1 0.916392 0.083006 0.916378 1 Si Si75 1 0.916386 0.416964 0.250341 1 Si Si76 1 0.917131 0.416412 0.583980 1 Si Si77 1 0.916415 0.416179 0.917155 1 Si Si78 1 0.917115 0.750610 0.249767 1 Si Si79 1 0.916326 0.749981 0.583381 1 Si Si80 1 0.917133 0.749349 0.916933 1 Si Si81 1 0.999648 0.166950 0.166391 1 Si Si82 1 0.000458 0.167030 0.499209 1 Si Si83 1 0.998981 0.166975 0.833038 1 Si Si84 1 0.998977 0.500302 0.166362 1 Si Si85 1 0.000207 0.499823 0.500037 1 Si Si86 1 0.999923 0.499253 0.834093 1 Si Si87 1 0.000456 0.834127 0.166332 1 Si Si88 1 0.999518 0.833607 0.499741 1 Si Si89 1 0.000201 0.833292 0.833515 1 Si Si90 1 0.340258 0.179273 0.154049 1 Si Si91 1 0.332590 0.167225 0.499323 1 Si Si92 1 0.332473 0.165666 0.834678 1 Si Si93 1 0.332476 0.498656 0.167671 1 Si Si94 1 0.332658 0.500124 0.500178 1 Si Si95 1 0.331521 0.493572 0.839769 1 Si Si96 1 0.332568 0.834012 0.166120 1 Si Si97 1 0.332238 0.834816 0.498526 1 Si Si98 1 0.332651 0.833174 0.833222 1 Si Si99 1 0.666861 0.166770 0.166570 1 Si Si100 1 0.665710 0.166790 0.499653 1 Si Si101 1 0.667458 0.166330 0.832382 1 Si Si102 1 0.667455 0.500954 0.167008 1 Si Si103 1 0.665852 0.500102 0.500559 1 Si Si104 1 0.666144 0.499782 0.833557 1 Si Si105 1 0.665713 0.833692 0.166557 1 Si Si106 1 0.666010 0.833569 0.499772 1 Si Si107 1 0.665855 0.832773 0.833252 1 Si Si108 1 0.081920 0.252663 0.248361 1 Si Si109 1 0.083608 0.250001 0.583347 1 Si Si110 1 0.081923 0.247327 0.918348 1 Si Si111 1 0.083106 0.582643 0.249938 1 Si Si112 1 0.083345 0.582996 0.584016 1 Si Si113 1 0.084017 0.581333 0.917919 1 Si Si114 1 0.083998 0.918676 0.248790 1 Si Si115 1 0.083331 0.916984 0.582671 1 Si Si116 1 0.083090 0.917322 0.916758 1 Si Si117 1 0.418225 0.252289 0.250006 1 Si Si118 1 0.415910 0.250000 0.583355 1 Si Si119 1 0.418234 0.247693 0.916664 1 Si Si120 1 0.415669 0.582979 0.250271 1 Si Si121 1 0.415881 0.583214 0.583851 1 Si Si122 1 0.415518 0.581831 0.917505 1 Si Si123 1 0.415512 0.918135 0.249186 1 Si Si124 1 0.415882 0.916771 0.582852 1 Si Si125 1 0.415673 0.917022 0.916422 1 Si Si126 1 0.749776 0.250261 0.250254 1 Si Si127 1 0.748620 0.250009 0.583352 1 Si Si128 1 0.749789 0.249729 0.916435 1 Si Si129 1 0.750178 0.584421 0.250427 1 Si Si130 1 0.749661 0.583196 0.583690 1 Si Si131 1 0.749458 0.583165 0.916982 1 Si Si132 1 0.749454 0.916795 0.249709 1 Si Si133 1 0.749622 0.916804 0.583013 1 Si Si134 1 0.750173 0.915549 0.916258 1 Si Si135 1 0.166068 0.003319 0.164456 1 Si Si136 1 0.166375 0.000910 0.498821 1 Si Si137 1 0.167301 0.001198 0.834555 1 Si Si138 1 0.166520 0.328047 0.161400 1 Si Si139 1 0.166593 0.333287 0.499524 1 Si Si140 1 0.166061 0.331100 0.836671 1 Si Si141 1 0.166590 0.666161 0.166644 1 Si Si142 1 0.166068 0.666718 0.500070 1 Si Si143 1 0.166383 0.665479 0.834263 1 Si Si144 1 0.499830 0.000397 0.166233 1 Si Si145 1 0.498665 0.000367 0.499069 1 Si Si146 1 0.499718 0.999783 0.833132 1 Si Si147 1 0.503193 0.334998 0.168345 1 Si Si148 1 0.499068 0.333523 0.499889 1 Si Si149 1 0.499841 0.332867 0.833754 1 Si Si150 1 0.499073 0.666522 0.166853 1 Si Si151 1 0.499060 0.666941 0.500311 1 Si Si152 1 0.498665 0.665705 0.833708 1 Si Si153 1 0.833103 0.999860 0.166561 1 Si Si154 1 0.833181 0.000335 0.499761 1 Si Si155 1 0.833129 0.999685 0.833051 1 Si Si156 1 0.833091 0.333438 0.166792 1 Si Si157 1 0.832837 0.333289 0.501204 1 Si Si158 1 0.833114 0.333208 0.833218 1 Si Si159 1 0.832834 0.667839 0.166620 1 Si Si160 1 0.832823 0.666704 0.500043 1 Si Si161 1 0.833198 0.666382 0.833688 1 Si Si162 1 0.081926 0.084980 0.080677 1 Si Si163 1 0.084007 0.084570 0.414670 1 Si Si164 1 0.083102 0.083405 0.750689 1 Si Si165 1 0.081919 0.414994 0.086007 1 Si Si166 1 0.083105 0.416584 0.416005 1 Si Si167 1 0.084018 0.415424 0.752011 1 Si Si168 1 0.083607 0.749977 0.083365 1 Si Si169 1 0.083326 0.750674 0.416360 1 Si Si170 1 0.083352 0.749321 0.750342 1 Si Si171 1 0.418227 0.083314 0.081058 1 Si Si172 1 0.415522 0.084164 0.415195 1 Si Si173 1 0.415668 0.083070 0.750361 1 Si Si174 1 0.418225 0.416658 0.085643 1 Si Si175 1 0.415672 0.416920 0.416319 1 Si Si176 1 0.415522 0.415835 0.751508 1 Si Si177 1 0.415905 0.749992 0.083344 1 Si Si178 1 0.415883 0.750492 0.416579 1 Si Si179 1 0.415875 0.749501 0.750140 1 Si Si180 1 0.749772 0.083083 0.083090 1 Si Si181 1 0.749456 0.083639 0.416541 1 Si Si182 1 0.750184 0.082908 0.748914 1 Si Si183 1 0.749782 0.416898 0.083601 1 Si Si184 1 0.750174 0.417088 0.417794 1 Si Si185 1 0.749454 0.416363 0.750161 1 Si Si186 1 0.748612 0.749989 0.083330 1 Si Si187 1 0.749626 0.750327 0.416542 1 Si Si188 1 0.749664 0.749654 0.750164 1 Si Si189 1 0.166532 0.171920 0.005282 1 Si Si190 1 0.166077 0.168895 0.330016 1 Si Si191 1 0.166579 0.166713 0.667167 1 Si Si192 1 0.166062 0.496669 0.002238 1 Si Si193 1 0.167321 0.498772 0.332129 1 Si Si194 1 0.166383 0.499078 0.667859 1 Si Si195 1 0.166570 0.833809 0.000073 1 Si Si196 1 0.166367 0.834516 0.332435 1 Si Si197 1 0.166075 0.833259 0.666613 1 Si Si198 1 0.503185 0.164995 0.998352 1 Si Si199 1 0.499829 0.167123 0.332936 1 Si Si200 1 0.499077 0.166479 0.666816 1 Si Si201 1 0.499834 0.499572 0.000469 1 Si Si202 1 0.499717 0.500223 0.333564 1 Si Si203 1 0.498670 0.499634 0.667637 1 Si Si204 1 0.499067 0.833448 0.999818 1 Si Si205 1 0.498677 0.834270 0.332979 1 Si Si206 1 0.499044 0.833043 0.666414 1 Si Si207 1 0.833095 0.166549 0.999909 1 Si Si208 1 0.833106 0.166791 0.333474 1 Si Si209 1 0.832837 0.166722 0.665501 1 Si Si210 1 0.833118 0.500112 0.000136 1 Si Si211 1 0.833127 0.500298 0.333660 1 Si Si212 1 0.833197 0.499660 0.666954 1 Si Si213 1 0.832843 0.832132 0.000050 1 Si Si214 1 0.833181 0.833583 0.333018 1 Si Si215 1 0.832817 0.833313 0.666652 1 O O216 1 0.313590 0.249969 0.083320 1