# generated using pymatgen data_InSi215 _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 InSi215 _chemical_formula_sum 'In1 Si215' _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 In In1 1 0.249998 0.249995 0.083335 1 Si Si2 1 0.250031 0.249990 0.416556 1 Si Si3 1 0.250093 0.250011 0.750054 1 Si Si4 1 0.250041 0.583244 0.083284 1 Si Si5 1 0.250002 0.584569 0.417898 1 Si Si6 1 0.249991 0.584570 0.748777 1 Si Si7 1 0.250015 0.916806 0.083338 1 Si Si8 1 0.250007 0.915418 0.417935 1 Si Si9 1 0.249990 0.915416 0.748744 1 Si Si10 1 0.583226 0.249977 0.083323 1 Si Si11 1 0.584566 0.250001 0.417903 1 Si Si12 1 0.584573 0.250012 0.748763 1 Si Si13 1 0.584559 0.584585 0.083330 1 Si Si14 1 0.583202 0.583287 0.416657 1 Si Si15 1 0.583466 0.583499 0.749886 1 Si Si16 1 0.584614 0.915448 0.083343 1 Si Si17 1 0.583467 0.916502 0.416815 1 Si Si18 1 0.583407 0.916671 0.750009 1 Si Si19 1 0.916762 0.250093 0.083347 1 Si Si20 1 0.915406 0.250005 0.417913 1 Si Si21 1 0.915414 0.250006 0.748750 1 Si Si22 1 0.915445 0.584571 0.083336 1 Si Si23 1 0.916529 0.583437 0.416683 1 Si Si24 1 0.916615 0.583398 0.749998 1 Si Si25 1 0.915418 0.915421 0.083339 1 Si Si26 1 0.916582 0.916693 0.416664 1 Si Si27 1 0.916530 0.916530 0.749837 1 Si Si28 1 0.998234 0.998245 0.000270 1 Si Si29 1 0.000024 0.000051 0.333308 1 Si Si30 1 0.999830 0.999825 0.666552 1 Si Si31 1 0.000493 0.333214 0.000143 1 Si Si32 1 0.998232 0.333059 0.335093 1 Si Si33 1 0.999829 0.333494 0.666586 1 Si Si34 1 0.999848 0.666760 0.999864 1 Si Si35 1 0.999861 0.666779 0.333483 1 Si Si36 1 0.999743 0.666704 0.666641 1 Si Si37 1 0.333194 0.000489 0.000137 1 Si Si38 1 0.333074 0.998222 0.335100 1 Si Si39 1 0.333504 0.999818 0.666609 1 Si Si40 1 0.339133 0.339126 0.994204 1 Si Si41 1 0.333198 0.333170 0.332857 1 Si Si42 1 0.333433 0.333434 0.666642 1 Si Si43 1 0.333421 0.666696 0.999923 1 Si Si44 1 0.333483 0.666757 0.333497 1 Si Si45 1 0.333581 0.667229 0.666103 1 Si Si46 1 0.666774 0.999864 0.999849 1 Si Si47 1 0.666756 0.999806 0.333511 1 Si Si48 1 0.666700 0.999749 0.666625 1 Si Si49 1 0.666642 0.333388 0.999930 1 Si Si50 1 0.666727 0.333495 0.333503 1 Si Si51 1 0.667261 0.333558 0.666078 1 Si Si52 1 0.667265 0.667262 0.999791 1 Si Si53 1 0.666631 0.666633 0.333585 1 Si Si54 1 0.666765 0.666674 0.666584 1 Si Si55 1 0.251208 0.081421 0.251917 1 Si Si56 1 0.250044 0.083176 0.583338 1 Si Si57 1 0.248797 0.081428 0.914749 1 Si Si58 1 0.248826 0.418575 0.251907 1 Si Si59 1 0.249970 0.416832 0.583334 1 Si Si60 1 0.251205 0.418568 0.914755 1 Si Si61 1 0.250016 0.750047 0.250168 1 Si Si62 1 0.250021 0.749885 0.583352 1 Si Si63 1 0.249999 0.750056 0.916532 1 Si Si64 1 0.583538 0.083103 0.250230 1 Si Si65 1 0.583423 0.083022 0.583399 1 Si Si66 1 0.583131 0.083545 0.916874 1 Si Si67 1 0.583114 0.416468 0.249786 1 Si Si68 1 0.583446 0.416948 0.583301 1 Si Si69 1 0.583502 0.416907 0.916435 1 Si Si70 1 0.583486 0.749949 0.250284 1 Si Si71 1 0.583492 0.749936 0.583388 1 Si Si72 1 0.583489 0.750109 0.916425 1 Si Si73 1 0.916880 0.083569 0.249800 1 Si Si74 1 0.916517 0.083069 0.583271 1 Si Si75 1 0.916515 0.083117 0.916408 1 Si Si76 1 0.916511 0.416915 0.250223 1 Si Si77 1 0.916494 0.416925 0.583393 1 Si Si78 1 0.916881 0.416486 0.916881 1 Si Si79 1 0.916545 0.750080 0.250301 1 Si Si80 1 0.916459 0.749979 0.583293 1 Si Si81 1 0.916516 0.749939 0.916408 1 Si Si82 1 0.000456 0.166849 0.166509 1 Si Si83 1 0.999826 0.166523 0.500082 1 Si Si84 1 0.998262 0.166946 0.831555 1 Si Si85 1 0.998270 0.501772 0.166400 1 Si Si86 1 0.999784 0.500157 0.500071 1 Si Si87 1 0.000019 0.499992 0.833367 1 Si Si88 1 0.999832 0.833276 0.166839 1 Si Si89 1 0.999720 0.833336 0.500002 1 Si Si90 1 0.999806 0.833227 0.833158 1 Si Si91 1 0.339139 0.160865 0.172465 1 Si Si92 1 0.333425 0.166590 0.499974 1 Si Si93 1 0.333197 0.166814 0.833799 1 Si Si94 1 0.333190 0.499536 0.166502 1 Si Si95 1 0.333471 0.500161 0.500075 1 Si Si96 1 0.333075 0.501767 0.831581 1 Si Si97 1 0.333409 0.833380 0.166730 1 Si Si98 1 0.333526 0.832684 0.500631 1 Si Si99 1 0.333488 0.833281 0.833169 1 Si Si100 1 0.666686 0.166606 0.166708 1 Si Si101 1 0.667216 0.166405 0.500587 1 Si Si102 1 0.666744 0.166514 0.833159 1 Si Si103 1 0.666723 0.500184 0.166809 1 Si Si104 1 0.666627 0.500211 0.499970 1 Si Si105 1 0.666750 0.500184 0.833164 1 Si Si106 1 0.667306 0.832719 0.166878 1 Si Si107 1 0.666693 0.833206 0.500074 1 Si Si108 1 0.666706 0.833339 0.833112 1 Si Si109 1 0.081435 0.251189 0.251914 1 Si Si110 1 0.083181 0.249997 0.583338 1 Si Si111 1 0.081443 0.248815 0.914748 1 Si Si112 1 0.083142 0.583512 0.250235 1 Si Si113 1 0.083015 0.583437 0.583389 1 Si Si114 1 0.083543 0.583137 0.916875 1 Si Si115 1 0.083540 0.916900 0.249813 1 Si Si116 1 0.083066 0.916509 0.583272 1 Si Si117 1 0.083080 0.916480 0.916441 1 Si Si118 1 0.418593 0.248792 0.251909 1 Si Si119 1 0.416839 0.249988 0.583317 1 Si Si120 1 0.418580 0.251199 0.914756 1 Si Si121 1 0.416445 0.583129 0.249784 1 Si Si122 1 0.416936 0.583441 0.583276 1 Si Si123 1 0.416915 0.583517 0.916440 1 Si Si124 1 0.416935 0.916503 0.250241 1 Si Si125 1 0.416942 0.916478 0.583424 1 Si Si126 1 0.416477 0.916892 0.916875 1 Si Si127 1 0.749980 0.250043 0.250145 1 Si Si128 1 0.749889 0.249949 0.583337 1 Si Si129 1 0.749995 0.250017 0.916488 1 Si Si130 1 0.749919 0.583468 0.250272 1 Si Si131 1 0.749999 0.583451 0.583223 1 Si Si132 1 0.750046 0.583475 0.916386 1 Si Si133 1 0.750071 0.916548 0.250265 1 Si Si134 1 0.749978 0.916485 0.583275 1 Si Si135 1 0.749975 0.916555 0.916402 1 Si Si136 1 0.166818 0.000486 0.166529 1 Si Si137 1 0.166529 0.999832 0.500101 1 Si Si138 1 0.166924 0.998221 0.831576 1 Si Si139 1 0.160882 0.339122 0.172468 1 Si Si140 1 0.166611 0.333380 0.499981 1 Si Si141 1 0.166854 0.333170 0.833774 1 Si Si142 1 0.166660 0.666647 0.166739 1 Si Si143 1 0.166436 0.667229 0.500612 1 Si Si144 1 0.166528 0.666770 0.833183 1 Si Si145 1 0.501786 0.998246 0.166404 1 Si Si146 1 0.500158 0.999780 0.500112 1 Si Si147 1 0.499986 0.000037 0.833377 1 Si Si148 1 0.499548 0.333170 0.166516 1 Si Si149 1 0.500175 0.333486 0.500085 1 Si Si150 1 0.501758 0.333074 0.831573 1 Si Si151 1 0.500175 0.666754 0.166831 1 Si Si152 1 0.500214 0.666681 0.500030 1 Si Si153 1 0.500196 0.666794 0.833200 1 Si Si154 1 0.833271 0.999857 0.166814 1 Si Si155 1 0.833289 0.999790 0.500008 1 Si Si156 1 0.833256 0.999828 0.833152 1 Si Si157 1 0.833318 0.333462 0.166731 1 Si Si158 1 0.832674 0.333503 0.500635 1 Si Si159 1 0.833258 0.333499 0.833168 1 Si Si160 1 0.832772 0.667251 0.166915 1 Si Si161 1 0.833300 0.666679 0.499985 1 Si Si162 1 0.833282 0.666720 0.833097 1 Si Si163 1 0.081410 0.081438 0.082146 1 Si Si164 1 0.083544 0.083542 0.416477 1 Si Si165 1 0.083116 0.083094 0.749809 1 Si Si166 1 0.081459 0.418581 0.084537 1 Si Si167 1 0.083087 0.416883 0.416851 1 Si Si168 1 0.083529 0.416464 0.750228 1 Si Si169 1 0.083190 0.749997 0.083393 1 Si Si170 1 0.083054 0.750067 0.416828 1 Si Si171 1 0.083043 0.749944 0.749880 1 Si Si172 1 0.418586 0.081424 0.084533 1 Si Si173 1 0.416921 0.083063 0.416843 1 Si Si174 1 0.416475 0.083533 0.750226 1 Si Si175 1 0.418579 0.418554 0.082151 1 Si Si176 1 0.416449 0.416434 0.416467 1 Si Si177 1 0.416910 0.416925 0.749828 1 Si Si178 1 0.416839 0.750022 0.083359 1 Si Si179 1 0.416942 0.749950 0.416799 1 Si Si180 1 0.416959 0.750056 0.749914 1 Si Si181 1 0.750072 0.083221 0.083287 1 Si Si182 1 0.750035 0.083064 0.416771 1 Si Si183 1 0.749939 0.083043 0.749862 1 Si Si184 1 0.749961 0.416848 0.083313 1 Si Si185 1 0.749937 0.416926 0.416796 1 Si Si186 1 0.750055 0.416966 0.749879 1 Si Si187 1 0.750005 0.749911 0.083379 1 Si Si188 1 0.749953 0.749927 0.416835 1 Si Si189 1 0.749970 0.750016 0.749805 1 Si Si190 1 0.160865 0.160867 0.994201 1 Si Si191 1 0.166825 0.166803 0.332877 1 Si Si192 1 0.166633 0.166608 0.666672 1 Si Si193 1 0.166828 0.499535 0.000135 1 Si Si194 1 0.166936 0.501735 0.335101 1 Si Si195 1 0.166493 0.500173 0.666603 1 Si Si196 1 0.166593 0.833362 0.999976 1 Si Si197 1 0.166512 0.833269 0.333525 1 Si Si198 1 0.166473 0.832679 0.666045 1 Si Si199 1 0.499524 0.166809 0.000141 1 Si Si200 1 0.501770 0.166919 0.335095 1 Si Si201 1 0.500168 0.166516 0.666600 1 Si Si202 1 0.501754 0.501755 0.000276 1 Si Si203 1 0.499904 0.499930 0.333271 1 Si Si204 1 0.500187 0.500200 0.666587 1 Si Si205 1 0.500178 0.833286 0.999876 1 Si Si206 1 0.500179 0.833224 0.333506 1 Si Si207 1 0.500265 0.833300 0.666694 1 Si Si208 1 0.833399 0.166664 0.999907 1 Si Si209 1 0.833238 0.166543 0.333478 1 Si Si210 1 0.832701 0.166458 0.666060 1 Si Si211 1 0.833247 0.500184 0.999856 1 Si Si212 1 0.833202 0.500139 0.333461 1 Si Si213 1 0.833303 0.500256 0.666636 1 Si Si214 1 0.832705 0.832703 0.999824 1 Si Si215 1 0.833273 0.833298 0.333587 1 Si Si216 1 0.833253 0.833281 0.666577 1