# generated using pymatgen data_ZnSi216 _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 ZnSi216 _chemical_formula_sum 'Zn1 Si216' _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 Zn Zn1 1 0.083400 0.249934 0.083402 1 Si Si2 1 0.252231 0.249844 0.083493 1 Si Si3 1 0.250350 0.250013 0.417121 1 Si Si4 1 0.250397 0.249792 0.749811 1 Si Si5 1 0.250392 0.583536 0.083554 1 Si Si6 1 0.250304 0.583880 0.417406 1 Si Si7 1 0.250166 0.583096 0.750244 1 Si Si8 1 0.250355 0.916216 0.083339 1 Si Si9 1 0.250090 0.916536 0.416852 1 Si Si10 1 0.250309 0.915932 0.749474 1 Si Si11 1 0.583531 0.249852 0.083491 1 Si Si12 1 0.583488 0.249856 0.417030 1 Si Si13 1 0.583577 0.249800 0.749956 1 Si Si14 1 0.583573 0.583386 0.083536 1 Si Si15 1 0.583570 0.583189 0.416820 1 Si Si16 1 0.583419 0.583196 0.750142 1 Si Si17 1 0.583491 0.916300 0.083474 1 Si Si18 1 0.583344 0.916546 0.416808 1 Si Si19 1 0.583582 0.916517 0.750145 1 Si Si20 1 0.914710 0.249873 0.083477 1 Si Si21 1 0.916609 0.249741 0.417208 1 Si Si22 1 0.916634 0.249899 0.749841 1 Si Si23 1 0.916627 0.583506 0.083449 1 Si Si24 1 0.916915 0.583158 0.416943 1 Si Si25 1 0.916634 0.583797 0.749553 1 Si Si26 1 0.916605 0.916140 0.083610 1 Si Si27 1 0.916614 0.915955 0.417404 1 Si Si28 1 0.916904 0.916403 0.750208 1 Si Si29 1 0.999741 0.998826 0.999743 1 Si Si30 1 0.000203 0.998597 0.334750 1 Si Si31 1 0.000131 0.999610 0.666763 1 Si Si32 1 0.996455 0.336891 0.996458 1 Si Si33 1 0.999733 0.333608 0.334513 1 Si Si34 1 0.000216 0.333142 0.666897 1 Si Si35 1 0.000216 0.666441 0.000207 1 Si Si36 1 0.000126 0.666579 0.333730 1 Si Si37 1 0.000172 0.666798 0.666549 1 Si Si38 1 0.334751 0.998606 0.000203 1 Si Si39 1 0.333594 0.999751 0.333591 1 Si Si40 1 0.333531 0.999822 0.666607 1 Si Si41 1 0.334523 0.333601 0.999731 1 Si Si42 1 0.334753 0.333135 0.334729 1 Si Si43 1 0.333735 0.333220 0.666758 1 Si Si44 1 0.333737 0.666577 0.000121 1 Si Si45 1 0.333500 0.666733 0.333489 1 Si Si46 1 0.333456 0.666487 0.666857 1 Si Si47 1 0.666757 0.999612 0.000117 1 Si Si48 1 0.666637 0.999859 0.333488 1 Si Si49 1 0.666858 0.999913 0.666863 1 Si Si50 1 0.666924 0.333147 0.000205 1 Si Si51 1 0.666765 0.333225 0.333729 1 Si Si52 1 0.666548 0.333175 0.666544 1 Si Si53 1 0.666550 0.666802 0.000171 1 Si Si54 1 0.666862 0.666495 0.333447 1 Si Si55 1 0.666858 0.666514 0.666832 1 Si Si56 1 0.250285 0.083067 0.250284 1 Si Si57 1 0.250201 0.083239 0.583350 1 Si Si58 1 0.253932 0.079428 0.912927 1 Si Si59 1 0.253922 0.420422 0.253918 1 Si Si60 1 0.250211 0.416545 0.583590 1 Si Si61 1 0.250385 0.416552 0.916796 1 Si Si62 1 0.250163 0.750026 0.250117 1 Si Si63 1 0.250097 0.749818 0.583551 1 Si Si64 1 0.250209 0.749752 0.916814 1 Si Si65 1 0.583441 0.083224 0.250067 1 Si Si66 1 0.583553 0.083274 0.583531 1 Si Si67 1 0.583594 0.083139 0.916798 1 Si Si68 1 0.583618 0.416552 0.250192 1 Si Si69 1 0.583494 0.416399 0.583467 1 Si Si70 1 0.583576 0.416468 0.916871 1 Si Si71 1 0.583552 0.749817 0.250077 1 Si Si72 1 0.583557 0.749854 0.583464 1 Si Si73 1 0.583483 0.749880 0.916949 1 Si Si74 1 0.912927 0.079426 0.253927 1 Si Si75 1 0.916818 0.083146 0.583605 1 Si Si76 1 0.916817 0.082969 0.916788 1 Si Si77 1 0.916792 0.416564 0.250391 1 Si Si78 1 0.916895 0.416475 0.583556 1 Si Si79 1 0.912946 0.420417 0.912941 1 Si Si80 1 0.916829 0.749759 0.250204 1 Si Si81 1 0.916970 0.749878 0.583486 1 Si Si82 1 0.916881 0.749782 0.916871 1 Si Si83 1 0.996518 0.162909 0.170437 1 Si Si84 1 0.000133 0.166499 0.500224 1 Si Si85 1 0.999669 0.165979 0.832561 1 Si Si86 1 0.999657 0.500784 0.167371 1 Si Si87 1 0.000183 0.500014 0.500350 1 Si Si88 1 0.000273 0.501165 0.832176 1 Si Si89 1 0.000141 0.833134 0.166851 1 Si Si90 1 0.000180 0.832971 0.500392 1 Si Si91 1 0.000180 0.832999 0.833349 1 Si Si92 1 0.334409 0.166060 0.167285 1 Si Si93 1 0.333698 0.166571 0.500159 1 Si Si94 1 0.334829 0.166662 0.832127 1 Si Si95 1 0.334817 0.501209 0.166673 1 Si Si96 1 0.333511 0.499953 0.500227 1 Si Si97 1 0.333698 0.499882 0.833456 1 Si Si98 1 0.333697 0.833177 0.166791 1 Si Si99 1 0.333402 0.833185 0.500164 1 Si Si100 1 0.333508 0.833109 0.833404 1 Si Si101 1 0.666876 0.166531 0.166804 1 Si Si102 1 0.666528 0.166573 0.500459 1 Si Si103 1 0.666792 0.166468 0.833320 1 Si Si104 1 0.666800 0.500045 0.166871 1 Si Si105 1 0.666797 0.499820 0.500173 1 Si Si106 1 0.666719 0.499902 0.833432 1 Si Si107 1 0.666530 0.832893 0.166772 1 Si Si108 1 0.666833 0.833280 0.500084 1 Si Si109 1 0.666796 0.833167 0.833525 1 Si Si110 1 0.083502 0.249847 0.252228 1 Si Si111 1 0.083523 0.249835 0.583524 1 Si Si112 1 0.083478 0.249878 0.914704 1 Si Si113 1 0.083560 0.583543 0.250391 1 Si Si114 1 0.083549 0.583394 0.583576 1 Si Si115 1 0.083467 0.583480 0.916604 1 Si Si116 1 0.083360 0.916222 0.250350 1 Si Si117 1 0.083510 0.916318 0.583484 1 Si Si118 1 0.083614 0.916143 0.916599 1 Si Si119 1 0.417150 0.249994 0.250337 1 Si Si120 1 0.417055 0.249876 0.583483 1 Si Si121 1 0.417221 0.249740 0.916597 1 Si Si122 1 0.417410 0.583870 0.250301 1 Si Si123 1 0.416854 0.583206 0.583556 1 Si Si124 1 0.416948 0.583150 0.916892 1 Si Si125 1 0.416857 0.916545 0.250101 1 Si Si126 1 0.416857 0.916512 0.583342 1 Si Si127 1 0.417396 0.915954 0.916616 1 Si Si128 1 0.749827 0.249808 0.250398 1 Si Si129 1 0.749966 0.249820 0.583573 1 Si Si130 1 0.749880 0.249892 0.916617 1 Si Si131 1 0.750256 0.583108 0.250165 1 Si Si132 1 0.750175 0.583201 0.583407 1 Si Si133 1 0.749554 0.583801 0.916632 1 Si Si134 1 0.749482 0.915933 0.250305 1 Si Si135 1 0.750180 0.916533 0.583577 1 Si Si136 1 0.750203 0.916413 0.916899 1 Si Si137 1 0.167295 0.998942 0.167288 1 Si Si138 1 0.166826 0.999718 0.500208 1 Si Si139 1 0.166685 0.998534 0.832132 1 Si Si140 1 0.170437 0.336830 0.170427 1 Si Si141 1 0.166847 0.333223 0.500215 1 Si Si142 1 0.167369 0.333683 0.832571 1 Si Si143 1 0.166867 0.666547 0.166858 1 Si Si144 1 0.166791 0.666838 0.500463 1 Si Si145 1 0.166885 0.666567 0.833317 1 Si Si146 1 0.500224 0.999695 0.166790 1 Si Si147 1 0.500175 0.999973 0.500166 1 Si Si148 1 0.500238 0.999835 0.833395 1 Si Si149 1 0.500233 0.333227 0.166842 1 Si Si150 1 0.500399 0.333174 0.500385 1 Si Si151 1 0.500358 0.333172 0.833335 1 Si Si152 1 0.500469 0.666822 0.166783 1 Si Si153 1 0.500131 0.666572 0.500099 1 Si Si154 1 0.500190 0.666558 0.833524 1 Si Si155 1 0.832135 0.998531 0.166680 1 Si Si156 1 0.833421 0.999867 0.500245 1 Si Si157 1 0.833470 0.999664 0.833464 1 Si Si158 1 0.832582 0.333697 0.167375 1 Si Si159 1 0.833353 0.333173 0.500351 1 Si Si160 1 0.832195 0.333064 0.832181 1 Si Si161 1 0.833328 0.666573 0.166880 1 Si Si162 1 0.833550 0.666564 0.500184 1 Si Si163 1 0.833443 0.666640 0.833445 1 Si Si164 1 0.083503 0.081113 0.083501 1 Si Si165 1 0.083351 0.082996 0.417133 1 Si Si166 1 0.083564 0.082949 0.749800 1 Si Si167 1 0.083471 0.418636 0.083472 1 Si Si168 1 0.083600 0.416741 0.417201 1 Si Si169 1 0.083464 0.416737 0.749861 1 Si Si170 1 0.083516 0.749826 0.083500 1 Si Si171 1 0.083486 0.749863 0.417042 1 Si Si172 1 0.083542 0.749776 0.749968 1 Si Si173 1 0.417131 0.082994 0.083346 1 Si Si174 1 0.416865 0.083262 0.416783 1 Si Si175 1 0.417417 0.083037 0.749471 1 Si Si176 1 0.417205 0.416745 0.083592 1 Si Si177 1 0.417395 0.416730 0.417385 1 Si Si178 1 0.416945 0.416449 0.750190 1 Si Si179 1 0.417052 0.749849 0.083475 1 Si Si180 1 0.416831 0.750007 0.416812 1 Si Si181 1 0.416862 0.749793 0.750151 1 Si Si182 1 0.749829 0.082937 0.083528 1 Si Si183 1 0.749481 0.083049 0.417411 1 Si Si184 1 0.750257 0.083186 0.750243 1 Si Si185 1 0.749880 0.416748 0.083455 1 Si Si186 1 0.750207 0.416449 0.416942 1 Si Si187 1 0.749568 0.416711 0.749543 1 Si Si188 1 0.749971 0.749777 0.083536 1 Si Si189 1 0.750187 0.749781 0.416823 1 Si Si190 1 0.750173 0.749933 0.750153 1 Si Si191 1 0.170443 0.162910 0.996514 1 Si Si192 1 0.167287 0.166063 0.334408 1 Si Si193 1 0.166875 0.166487 0.666814 1 Si Si194 1 0.167365 0.500767 0.999658 1 Si Si195 1 0.166677 0.501208 0.334820 1 Si Si196 1 0.166884 0.500028 0.666782 1 Si Si197 1 0.166858 0.833131 0.000123 1 Si Si198 1 0.166809 0.833160 0.333663 1 Si Si199 1 0.166783 0.832890 0.666521 1 Si Si200 1 0.500228 0.166487 0.000132 1 Si Si201 1 0.500255 0.166521 0.333609 1 Si Si202 1 0.500464 0.166558 0.666515 1 Si Si203 1 0.500363 0.499998 0.000166 1 Si Si204 1 0.500243 0.499933 0.333496 1 Si Si205 1 0.500197 0.499815 0.666773 1 Si Si206 1 0.500391 0.832952 0.000164 1 Si Si207 1 0.500183 0.833187 0.333382 1 Si Si208 1 0.500163 0.833218 0.666771 1 Si Si209 1 0.832580 0.165971 0.999654 1 Si Si210 1 0.832134 0.166669 0.334813 1 Si Si211 1 0.833320 0.166474 0.666779 1 Si Si212 1 0.832192 0.501181 0.000274 1 Si Si213 1 0.833459 0.499897 0.333701 1 Si Si214 1 0.833449 0.499900 0.666696 1 Si Si215 1 0.833350 0.832993 0.000169 1 Si Si216 1 0.833423 0.833108 0.333499 1 Si Si217 1 0.833544 0.833163 0.666791 1