# 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 0.083593 0.249555 0.083748 1 Si Si2 1 0.252729 0.249892 0.083377 1 Si Si3 1 0.250291 0.249959 0.417333 1 Si Si4 1 0.250290 0.249778 0.749650 1 Si Si5 1 0.250270 0.583754 0.083637 1 Si Si6 1 0.250450 0.583824 0.417413 1 Si Si7 1 0.250337 0.583324 0.750139 1 Si Si8 1 0.250278 0.916033 0.083450 1 Si Si9 1 0.250248 0.916333 0.417097 1 Si Si10 1 0.250478 0.915909 0.749531 1 Si Si11 1 0.583469 0.249800 0.083610 1 Si Si12 1 0.583474 0.249838 0.417018 1 Si Si13 1 0.583517 0.249745 0.750124 1 Si Si14 1 0.583537 0.583269 0.083664 1 Si Si15 1 0.583589 0.583278 0.417048 1 Si Si16 1 0.583418 0.583208 0.750128 1 Si Si17 1 0.583449 0.916368 0.083566 1 Si Si18 1 0.583488 0.916358 0.417077 1 Si Si19 1 0.583628 0.916351 0.750194 1 Si Si20 1 0.914125 0.249780 0.083614 1 Si Si21 1 0.916711 0.249669 0.417415 1 Si Si22 1 0.916651 0.249940 0.749652 1 Si Si23 1 0.916595 0.583721 0.083477 1 Si Si24 1 0.916878 0.583253 0.417125 1 Si Si25 1 0.916457 0.583722 0.749667 1 Si Si26 1 0.916722 0.915984 0.083715 1 Si Si27 1 0.916446 0.915926 0.417490 1 Si Si28 1 0.916856 0.916281 0.750169 1 Si Si29 1 0.999220 0.998939 0.999241 1 Si Si30 1 0.000644 0.998597 0.334808 1 Si Si31 1 0.000025 0.999590 0.666778 1 Si Si32 1 0.996538 0.336832 0.996599 1 Si Si33 1 0.999235 0.334093 0.334445 1 Si Si34 1 0.000201 0.333150 0.666651 1 Si Si35 1 0.000154 0.666711 0.000263 1 Si Si36 1 0.000028 0.666623 0.333779 1 Si Si37 1 0.000222 0.666699 0.666708 1 Si Si38 1 0.334724 0.998611 0.000679 1 Si Si39 1 0.333915 0.999406 0.334003 1 Si Si40 1 0.333610 0.999728 0.666670 1 Si Si41 1 0.334418 0.334124 0.999251 1 Si Si42 1 0.334757 0.332726 0.334773 1 Si Si43 1 0.333755 0.333336 0.666752 1 Si Si44 1 0.333768 0.666632 0.000097 1 Si Si45 1 0.333595 0.666765 0.333660 1 Si Si46 1 0.333617 0.666585 0.666831 1 Si Si47 1 0.666716 0.999600 0.000120 1 Si Si48 1 0.666594 0.999719 0.333689 1 Si Si49 1 0.666767 0.999719 0.666855 1 Si Si50 1 0.666609 0.333180 0.000257 1 Si Si51 1 0.666703 0.333292 0.333774 1 Si Si52 1 0.666593 0.333088 0.666652 1 Si Si53 1 0.666577 0.666770 0.000308 1 Si Si54 1 0.666797 0.666591 0.333732 1 Si Si55 1 0.666848 0.666473 0.666884 1 Si Si56 1 0.250620 0.082701 0.250671 1 Si Si57 1 0.250299 0.083052 0.583488 1 Si Si58 1 0.254012 0.079302 0.912971 1 Si Si59 1 0.253995 0.420353 0.254061 1 Si Si60 1 0.250354 0.416616 0.583590 1 Si Si61 1 0.250689 0.417027 0.916401 1 Si Si62 1 0.250284 0.749940 0.250342 1 Si Si63 1 0.250264 0.749800 0.583567 1 Si Si64 1 0.250378 0.749805 0.916807 1 Si Si65 1 0.583368 0.083016 0.250391 1 Si Si66 1 0.583515 0.083063 0.583617 1 Si Si67 1 0.583542 0.082970 0.916815 1 Si Si68 1 0.583534 0.416602 0.250408 1 Si Si69 1 0.583539 0.416584 0.583578 1 Si Si70 1 0.583550 0.416547 0.916875 1 Si Si71 1 0.583503 0.749795 0.250391 1 Si Si72 1 0.583577 0.749772 0.583604 1 Si Si73 1 0.583559 0.749837 0.916801 1 Si Si74 1 0.912875 0.079232 0.254128 1 Si Si75 1 0.916740 0.082981 0.583607 1 Si Si76 1 0.916330 0.082682 0.916409 1 Si Si77 1 0.916337 0.416972 0.250773 1 Si Si78 1 0.916817 0.416508 0.583594 1 Si Si79 1 0.913100 0.420197 0.913228 1 Si Si80 1 0.916754 0.749817 0.250397 1 Si Si81 1 0.916805 0.749801 0.583611 1 Si Si82 1 0.916812 0.749787 0.916880 1 Si Si83 1 0.996157 0.162579 0.170716 1 Si Si84 1 0.000135 0.166405 0.500484 1 Si Si85 1 0.999193 0.165605 0.832660 1 Si Si86 1 0.999150 0.500689 0.167783 1 Si Si87 1 0.000092 0.499966 0.500443 1 Si Si88 1 0.000623 0.501012 0.832380 1 Si Si89 1 0.000156 0.832939 0.166972 1 Si Si90 1 0.000128 0.832926 0.500437 1 Si Si91 1 0.000081 0.832940 0.833422 1 Si Si92 1 0.334233 0.165651 0.167706 1 Si Si93 1 0.333687 0.166379 0.500309 1 Si Si94 1 0.334704 0.167060 0.832290 1 Si Si95 1 0.334675 0.501094 0.166347 1 Si Si96 1 0.333575 0.500015 0.500340 1 Si Si97 1 0.334023 0.500255 0.833155 1 Si Si98 1 0.333707 0.833071 0.167012 1 Si Si99 1 0.333606 0.833087 0.500359 1 Si Si100 1 0.333600 0.832996 0.833358 1 Si Si101 1 0.666491 0.166420 0.166974 1 Si Si102 1 0.666550 0.166535 0.500485 1 Si Si103 1 0.666686 0.166286 0.833371 1 Si Si104 1 0.666707 0.500061 0.167155 1 Si Si105 1 0.666804 0.499893 0.500290 1 Si Si106 1 0.666591 0.499941 0.833459 1 Si Si107 1 0.666515 0.832918 0.166897 1 Si Si108 1 0.666860 0.833093 0.500324 1 Si Si109 1 0.666872 0.833101 0.833523 1 Si Si110 1 0.083346 0.249858 0.252727 1 Si Si111 1 0.083563 0.249791 0.583518 1 Si Si112 1 0.083515 0.249856 0.914140 1 Si Si113 1 0.083538 0.583730 0.250273 1 Si Si114 1 0.083561 0.583249 0.583632 1 Si Si115 1 0.083368 0.583712 0.916745 1 Si Si116 1 0.083411 0.916050 0.250328 1 Si Si117 1 0.083474 0.916381 0.583521 1 Si Si118 1 0.083663 0.915965 0.916729 1 Si Si119 1 0.417285 0.249896 0.250341 1 Si Si120 1 0.416965 0.249887 0.583500 1 Si Si121 1 0.417402 0.249692 0.916759 1 Si Si122 1 0.417351 0.583829 0.250531 1 Si Si123 1 0.416919 0.583238 0.583634 1 Si Si124 1 0.417073 0.583246 0.916946 1 Si Si125 1 0.416989 0.916301 0.250341 1 Si Si126 1 0.416995 0.916334 0.583624 1 Si Si127 1 0.417409 0.915930 0.916463 1 Si Si128 1 0.749597 0.249751 0.250290 1 Si Si129 1 0.750094 0.249764 0.583595 1 Si Si130 1 0.749595 0.249966 0.916707 1 Si Si131 1 0.750070 0.583301 0.250427 1 Si Si132 1 0.750136 0.583220 0.583515 1 Si Si133 1 0.749506 0.583802 0.916524 1 Si Si134 1 0.749486 0.915938 0.250542 1 Si Si135 1 0.750107 0.916404 0.583662 1 Si Si136 1 0.750108 0.916302 0.916957 1 Si Si137 1 0.167667 0.999097 0.167700 1 Si Si138 1 0.166967 0.999663 0.500316 1 Si Si139 1 0.166310 0.998626 0.832229 1 Si Si140 1 0.170634 0.337000 0.170638 1 Si Si141 1 0.166942 0.333205 0.500461 1 Si Si142 1 0.167766 0.334166 0.832659 1 Si Si143 1 0.166884 0.666812 0.166934 1 Si Si144 1 0.166785 0.666749 0.500463 1 Si Si145 1 0.167047 0.666643 0.833410 1 Si Si146 1 0.500219 0.999612 0.167051 1 Si Si147 1 0.500255 0.999706 0.500370 1 Si Si148 1 0.500347 0.999740 0.833374 1 Si Si149 1 0.500413 0.333174 0.167020 1 Si Si150 1 0.500405 0.333250 0.500413 1 Si Si151 1 0.500401 0.333269 0.833411 1 Si Si152 1 0.500398 0.666774 0.166888 1 Si Si153 1 0.500227 0.666511 0.500326 1 Si Si154 1 0.500260 0.666517 0.833532 1 Si Si155 1 0.832179 0.998625 0.166341 1 Si Si156 1 0.833328 0.999758 0.500384 1 Si Si157 1 0.833110 0.999340 0.833172 1 Si Si158 1 0.832617 0.334160 0.167789 1 Si Si159 1 0.833364 0.333250 0.500416 1 Si Si160 1 0.832282 0.332719 0.832342 1 Si Si161 1 0.833287 0.666661 0.167138 1 Si Si162 1 0.833488 0.666545 0.500318 1 Si Si163 1 0.833410 0.666714 0.833481 1 Si Si164 1 0.083376 0.080617 0.083427 1 Si Si165 1 0.083406 0.083092 0.417353 1 Si Si166 1 0.083577 0.083079 0.749647 1 Si Si167 1 0.083562 0.419182 0.083619 1 Si Si168 1 0.083663 0.416624 0.417406 1 Si Si169 1 0.083408 0.416693 0.749662 1 Si Si170 1 0.083537 0.749879 0.083577 1 Si Si171 1 0.083500 0.749848 0.417001 1 Si Si172 1 0.083577 0.749785 0.750160 1 Si Si173 1 0.417297 0.083047 0.083461 1 Si Si174 1 0.416990 0.083059 0.417113 1 Si Si175 1 0.417389 0.082857 0.749582 1 Si Si176 1 0.417366 0.416601 0.083734 1 Si Si177 1 0.417446 0.416944 0.417437 1 Si Si178 1 0.417058 0.416485 0.750142 1 Si Si179 1 0.417010 0.749882 0.083538 1 Si Si180 1 0.416957 0.749856 0.417068 1 Si Si181 1 0.416995 0.749724 0.750174 1 Si Si182 1 0.749584 0.083105 0.083646 1 Si Si183 1 0.749501 0.082867 0.417467 1 Si Si184 1 0.750041 0.083019 0.750136 1 Si Si185 1 0.749608 0.416733 0.083477 1 Si Si186 1 0.750061 0.416462 0.417106 1 Si Si187 1 0.749523 0.416845 0.749642 1 Si Si188 1 0.750068 0.749831 0.083660 1 Si Si189 1 0.750137 0.749780 0.417056 1 Si Si190 1 0.750137 0.749877 0.750139 1 Si Si191 1 0.170574 0.162749 0.996222 1 Si Si192 1 0.167681 0.165681 0.334280 1 Si Si193 1 0.166911 0.166454 0.666605 1 Si Si194 1 0.167740 0.500725 0.999274 1 Si Si195 1 0.166275 0.501114 0.334698 1 Si Si196 1 0.167090 0.500058 0.666784 1 Si Si197 1 0.166937 0.832926 0.000170 1 Si Si198 1 0.166982 0.833098 0.333753 1 Si Si199 1 0.166782 0.832904 0.666592 1 Si Si200 1 0.500420 0.166400 0.000201 1 Si Si201 1 0.500230 0.166334 0.333801 1 Si Si202 1 0.500372 0.166543 0.666603 1 Si Si203 1 0.500383 0.499957 0.000177 1 Si Si204 1 0.500351 0.500065 0.333630 1 Si Si205 1 0.500214 0.499871 0.666817 1 Si Si206 1 0.500393 0.832973 0.000132 1 Si Si207 1 0.500253 0.833071 0.333707 1 Si Si208 1 0.500298 0.833058 0.666930 1 Si Si209 1 0.832588 0.165627 0.999248 1 Si Si210 1 0.832198 0.167039 0.334750 1 Si Si211 1 0.833299 0.166266 0.666759 1 Si Si212 1 0.832234 0.501090 0.000660 1 Si Si213 1 0.833106 0.500228 0.334099 1 Si Si214 1 0.833400 0.499879 0.666698 1 Si Si215 1 0.833382 0.832965 0.000155 1 Si Si216 1 0.833339 0.833028 0.333643 1 Si Si217 1 0.833482 0.833109 0.666839 1