# generated using pymatgen data_Si215W _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 Si215W _chemical_formula_sum 'Si215 W1' _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 0.249893 0.249977 0.416621 1 Si Si2 1 0.249834 0.250014 0.749869 1 Si Si3 1 0.249941 0.583515 0.083236 1 Si Si4 1 0.249929 0.583889 0.417103 1 Si Si5 1 0.249828 0.583681 0.749401 1 Si Si6 1 0.249893 0.916503 0.083431 1 Si Si7 1 0.249841 0.916149 0.417268 1 Si Si8 1 0.250027 0.916166 0.749538 1 Si Si9 1 0.583440 0.250067 0.083231 1 Si Si10 1 0.583821 0.250092 0.417213 1 Si Si11 1 0.583914 0.249905 0.749432 1 Si Si12 1 0.583718 0.583827 0.083480 1 Si Si13 1 0.583259 0.583212 0.416463 1 Si Si14 1 0.583211 0.583232 0.749830 1 Si Si15 1 0.583785 0.916189 0.083213 1 Si Si16 1 0.583124 0.916789 0.416726 1 Si Si17 1 0.583099 0.916671 0.750250 1 Si Si18 1 0.916500 0.250035 0.083318 1 Si Si19 1 0.916199 0.249843 0.416980 1 Si Si20 1 0.916168 0.249989 0.749519 1 Si Si21 1 0.916054 0.583868 0.083110 1 Si Si22 1 0.916636 0.583318 0.416527 1 Si Si23 1 0.916571 0.583248 0.750146 1 Si Si24 1 0.916122 0.916137 0.083558 1 Si Si25 1 0.916545 0.916648 0.416777 1 Si Si26 1 0.916679 0.916531 0.750059 1 Si Si27 1 0.999235 0.999191 0.000219 1 Si Si28 1 0.999810 0.999937 0.333408 1 Si Si29 1 0.999896 0.000012 0.666751 1 Si Si30 1 0.999704 0.333368 0.999976 1 Si Si31 1 0.999235 0.333272 0.333898 1 Si Si32 1 0.999856 0.333305 0.666532 1 Si Si33 1 0.999935 0.666717 0.999919 1 Si Si34 1 0.999992 0.666658 0.333328 1 Si Si35 1 0.999877 0.666542 0.666736 1 Si Si36 1 0.333256 0.999707 0.000103 1 Si Si37 1 0.333160 0.999227 0.334131 1 Si Si38 1 0.333312 0.000005 0.666662 1 Si Si39 1 0.336207 0.336114 0.997212 1 Si Si40 1 0.333308 0.333382 0.333544 1 Si Si41 1 0.333200 0.333314 0.666542 1 Si Si42 1 0.333284 0.666696 0.999852 1 Si Si43 1 0.333259 0.666815 0.333403 1 Si Si44 1 0.333330 0.666800 0.666420 1 Si Si45 1 0.666758 0.999917 0.999901 1 Si Si46 1 0.666486 0.000058 0.333376 1 Si Si47 1 0.666498 0.000004 0.666929 1 Si Si48 1 0.666666 0.333428 0.999927 1 Si Si49 1 0.666771 0.333332 0.333378 1 Si Si50 1 0.666973 0.333390 0.666312 1 Si Si51 1 0.666800 0.666850 0.000023 1 Si Si52 1 0.666562 0.666724 0.333298 1 Si Si53 1 0.666618 0.666602 0.666588 1 Si Si54 1 0.249448 0.082233 0.251066 1 Si Si55 1 0.250029 0.083451 0.583318 1 Si Si56 1 0.250417 0.082225 0.915661 1 Si Si57 1 0.250495 0.417756 0.250934 1 Si Si58 1 0.249961 0.416677 0.583105 1 Si Si59 1 0.249513 0.417675 0.915618 1 Si Si60 1 0.249841 0.750051 0.250047 1 Si Si61 1 0.249776 0.749919 0.583457 1 Si Si62 1 0.249892 0.749997 0.916518 1 Si Si63 1 0.583407 0.083447 0.249963 1 Si Si64 1 0.583161 0.083248 0.583470 1 Si Si65 1 0.583417 0.083432 0.916715 1 Si Si66 1 0.583481 0.416587 0.249917 1 Si Si67 1 0.583434 0.416742 0.583209 1 Si Si68 1 0.583251 0.416646 0.916471 1 Si Si69 1 0.583139 0.750121 0.250099 1 Si Si70 1 0.583185 0.749947 0.583267 1 Si Si71 1 0.583249 0.749888 0.916721 1 Si Si72 1 0.916456 0.083295 0.250011 1 Si Si73 1 0.916554 0.083279 0.583278 1 Si Si74 1 0.916771 0.083248 0.916703 1 Si Si75 1 0.916637 0.416766 0.249834 1 Si Si76 1 0.916625 0.416571 0.583197 1 Si Si77 1 0.916647 0.416655 0.916569 1 Si Si78 1 0.916523 0.749961 0.250070 1 Si Si79 1 0.916572 0.749927 0.583418 1 Si Si80 1 0.916518 0.749922 0.916753 1 Si Si81 1 0.999606 0.166631 0.166705 1 Si Si82 1 0.999884 0.166546 0.499993 1 Si Si83 1 0.999316 0.166716 0.832623 1 Si Si84 1 0.999175 0.500870 0.166464 1 Si Si85 1 0.999942 0.499898 0.499790 1 Si Si86 1 0.000044 0.499990 0.833273 1 Si Si87 1 0.999860 0.833215 0.166844 1 Si Si88 1 0.999928 0.833372 0.500164 1 Si Si89 1 0.999947 0.833298 0.833494 1 Si Si90 1 0.336123 0.163888 0.169561 1 Si Si91 1 0.333339 0.166805 0.499968 1 Si Si92 1 0.333200 0.166688 0.833086 1 Si Si93 1 0.333325 0.500365 0.166599 1 Si Si94 1 0.333321 0.500123 0.499911 1 Si Si95 1 0.333211 0.500642 0.832495 1 Si Si96 1 0.333312 0.833283 0.166700 1 Si Si97 1 0.333250 0.833050 0.500386 1 Si Si98 1 0.333368 0.833274 0.833280 1 Si Si99 1 0.666740 0.166712 0.166521 1 Si Si100 1 0.666753 0.166537 0.500337 1 Si Si101 1 0.666809 0.166695 0.833348 1 Si Si102 1 0.666754 0.500114 0.166709 1 Si Si103 1 0.666751 0.500008 0.499840 1 Si Si104 1 0.666542 0.499907 0.833158 1 Si Si105 1 0.666740 0.833167 0.166836 1 Si Si106 1 0.666520 0.833454 0.500061 1 Si Si107 1 0.666587 0.833351 0.833499 1 Si Si108 1 0.082265 0.249444 0.250985 1 Si Si109 1 0.083204 0.250026 0.583172 1 Si Si110 1 0.082289 0.250463 0.915692 1 Si Si111 1 0.083214 0.583448 0.249899 1 Si Si112 1 0.083122 0.583163 0.583347 1 Si Si113 1 0.083379 0.583324 0.916714 1 Si Si114 1 0.083210 0.916546 0.250149 1 Si Si115 1 0.083283 0.916700 0.583496 1 Si Si116 1 0.083238 0.916625 0.916754 1 Si Si117 1 0.417763 0.250503 0.251125 1 Si Si118 1 0.416722 0.250152 0.583254 1 Si Si119 1 0.417715 0.249485 0.915531 1 Si Si120 1 0.416529 0.583509 0.249954 1 Si Si121 1 0.416588 0.583351 0.583172 1 Si Si122 1 0.416592 0.583242 0.916560 1 Si Si123 1 0.416607 0.916778 0.249988 1 Si Si124 1 0.416521 0.916589 0.583499 1 Si Si125 1 0.416531 0.916645 0.916786 1 Si Si126 1 0.749997 0.250047 0.249893 1 Si Si127 1 0.750068 0.249913 0.583236 1 Si Si128 1 0.750081 0.250057 0.916730 1 Si Si129 1 0.749937 0.583450 0.249972 1 Si Si130 1 0.750063 0.583274 0.583252 1 Si Si131 1 0.749751 0.583299 0.916602 1 Si Si132 1 0.749847 0.916645 0.250146 1 Si Si133 1 0.749834 0.916716 0.583558 1 Si Si134 1 0.750112 0.916638 0.916725 1 Si Si135 1 0.166543 0.999638 0.166806 1 Si Si136 1 0.166611 0.999949 0.500192 1 Si Si137 1 0.166655 0.999217 0.832609 1 Si Si138 1 0.163835 0.336126 0.169378 1 Si Si139 1 0.166605 0.333336 0.499852 1 Si Si140 1 0.166598 0.333346 0.833112 1 Si Si141 1 0.166599 0.666743 0.166598 1 Si Si142 1 0.166417 0.666789 0.500316 1 Si Si143 1 0.166599 0.666629 0.833219 1 Si Si144 1 0.500778 0.999328 0.166592 1 Si Si145 1 0.499773 0.000007 0.500054 1 Si Si146 1 0.499866 0.000111 0.833454 1 Si Si147 1 0.500302 0.333331 0.166680 1 Si Si148 1 0.500068 0.333541 0.499980 1 Si Si149 1 0.500707 0.333202 0.832424 1 Si Si150 1 0.499985 0.666819 0.166728 1 Si Si151 1 0.499968 0.666604 0.499836 1 Si Si152 1 0.499978 0.666499 0.833317 1 Si Si153 1 0.833143 0.999849 0.166800 1 Si Si154 1 0.833161 0.999966 0.500067 1 Si Si155 1 0.833490 0.999964 0.833385 1 Si Si156 1 0.833243 0.333442 0.166557 1 Si Si157 1 0.833165 0.333289 0.500078 1 Si Si158 1 0.833308 0.333352 0.833261 1 Si Si159 1 0.833055 0.666911 0.166691 1 Si Si160 1 0.833322 0.666660 0.499911 1 Si Si161 1 0.833178 0.666627 0.833402 1 Si Si162 1 0.082223 0.082241 0.083931 1 Si Si163 1 0.083272 0.083200 0.416737 1 Si Si164 1 0.083267 0.083305 0.749918 1 Si Si165 1 0.082210 0.417764 0.082826 1 Si Si166 1 0.083312 0.416708 0.416457 1 Si Si167 1 0.083292 0.416517 0.749873 1 Si Si168 1 0.083158 0.750041 0.083339 1 Si Si169 1 0.083190 0.750012 0.416844 1 Si Si170 1 0.083165 0.749875 0.750103 1 Si Si171 1 0.417682 0.082313 0.082865 1 Si Si172 1 0.416557 0.083332 0.416675 1 Si Si173 1 0.416542 0.083486 0.749989 1 Si Si174 1 0.417759 0.417755 0.083852 1 Si Si175 1 0.416597 0.416745 0.416561 1 Si Si176 1 0.416592 0.416606 0.749817 1 Si Si177 1 0.416589 0.749967 0.083254 1 Si Si178 1 0.416493 0.750042 0.416738 1 Si Si179 1 0.416559 0.749868 0.750050 1 Si Si180 1 0.750035 0.083212 0.083277 1 Si Si181 1 0.749824 0.083334 0.416749 1 Si Si182 1 0.749996 0.083299 0.750159 1 Si Si183 1 0.749957 0.416838 0.083210 1 Si Si184 1 0.750101 0.416609 0.416550 1 Si Si185 1 0.750079 0.416583 0.749897 1 Si Si186 1 0.749827 0.750049 0.083439 1 Si Si187 1 0.749813 0.750051 0.416730 1 Si Si188 1 0.749805 0.749971 0.750097 1 Si Si189 1 0.163867 0.163835 0.997338 1 Si Si190 1 0.166547 0.166544 0.333582 1 Si Si191 1 0.166557 0.166713 0.666556 1 Si Si192 1 0.166654 0.500230 0.999983 1 Si Si193 1 0.166711 0.500814 0.333896 1 Si Si194 1 0.166551 0.499898 0.666474 1 Si Si195 1 0.166632 0.833268 0.000014 1 Si Si196 1 0.166517 0.833226 0.333539 1 Si Si197 1 0.166455 0.833056 0.666607 1 Si Si198 1 0.500244 0.166677 0.999978 1 Si Si199 1 0.500777 0.166722 0.334125 1 Si Si200 1 0.499994 0.166699 0.666597 1 Si Si201 1 0.500747 0.500728 0.000017 1 Si Si202 1 0.499980 0.499990 0.333121 1 Si Si203 1 0.499894 0.499936 0.666549 1 Si Si204 1 0.500007 0.833244 0.999950 1 Si Si205 1 0.499804 0.833494 0.333407 1 Si Si206 1 0.499913 0.833241 0.666776 1 Si Si207 1 0.833359 0.166613 0.999996 1 Si Si208 1 0.833110 0.166580 0.333370 1 Si Si209 1 0.833086 0.166519 0.666477 1 Si Si210 1 0.833214 0.500094 0.999757 1 Si Si211 1 0.833379 0.500013 0.333197 1 Si Si212 1 0.833387 0.499947 0.666614 1 Si Si213 1 0.833079 0.833067 0.000080 1 Si Si214 1 0.833244 0.833303 0.333414 1 Si Si215 1 0.833237 0.833264 0.666766 1 W W216 1 0.250049 0.250020 0.083345 1