# generated using pymatgen data_VSi215 _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 VSi215 _chemical_formula_sum 'V1 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 V V1 1 0.250080 0.249933 0.083413 1 Si Si2 1 0.250048 0.250037 0.416887 1 Si Si3 1 0.249949 0.249998 0.749659 1 Si Si4 1 0.249968 0.583562 0.083238 1 Si Si5 1 0.250222 0.583684 0.416942 1 Si Si6 1 0.249620 0.583613 0.749664 1 Si Si7 1 0.249997 0.916347 0.083259 1 Si Si8 1 0.249645 0.916355 0.416897 1 Si Si9 1 0.250198 0.916376 0.749643 1 Si Si10 1 0.583677 0.250032 0.083295 1 Si Si11 1 0.583651 0.250247 0.417047 1 Si Si12 1 0.583559 0.249709 0.749665 1 Si Si13 1 0.583628 0.583521 0.083668 1 Si Si14 1 0.583173 0.583481 0.416753 1 Si Si15 1 0.583209 0.583448 0.750013 1 Si Si16 1 0.583684 0.916282 0.083027 1 Si Si17 1 0.583224 0.916688 0.416551 1 Si Si18 1 0.583214 0.916637 0.750099 1 Si Si19 1 0.916399 0.250041 0.083304 1 Si Si20 1 0.916248 0.249761 0.416952 1 Si Si21 1 0.916321 0.250353 0.749665 1 Si Si22 1 0.916352 0.583715 0.083094 1 Si Si23 1 0.916563 0.583479 0.416642 1 Si Si24 1 0.916553 0.583377 0.749813 1 Si Si25 1 0.916307 0.916284 0.083528 1 Si Si26 1 0.916590 0.916852 0.416662 1 Si Si27 1 0.916574 0.916742 0.749969 1 Si Si28 1 0.999426 0.999481 0.999853 1 Si Si29 1 0.999930 0.000048 0.333273 1 Si Si30 1 0.999887 0.000025 0.666686 1 Si Si31 1 0.999498 0.333365 0.999930 1 Si Si32 1 0.999355 0.333489 0.333815 1 Si Si33 1 0.999813 0.333457 0.666429 1 Si Si34 1 0.999881 0.666790 0.999878 1 Si Si35 1 0.999908 0.666692 0.333319 1 Si Si36 1 0.999940 0.666720 0.666589 1 Si Si37 1 0.333387 0.999473 0.999985 1 Si Si38 1 0.333520 0.999408 0.333838 1 Si Si39 1 0.333202 0.999979 0.666454 1 Si Si40 1 0.335604 0.335590 0.997636 1 Si Si41 1 0.333417 0.333371 0.333811 1 Si Si42 1 0.333285 0.333361 0.666479 1 Si Si43 1 0.333297 0.666774 0.999950 1 Si Si44 1 0.333256 0.666835 0.333323 1 Si Si45 1 0.333274 0.666840 0.666592 1 Si Si46 1 0.666773 0.999918 0.999919 1 Si Si47 1 0.666645 0.999941 0.333356 1 Si Si48 1 0.666633 0.000015 0.666870 1 Si Si49 1 0.666788 0.333496 0.999997 1 Si Si50 1 0.666787 0.333356 0.333449 1 Si Si51 1 0.666623 0.333466 0.666539 1 Si Si52 1 0.666807 0.666565 0.999909 1 Si Si53 1 0.666558 0.666780 0.333459 1 Si Si54 1 0.666536 0.666813 0.666679 1 Si Si55 1 0.249232 0.082425 0.250850 1 Si Si56 1 0.249844 0.083355 0.583210 1 Si Si57 1 0.250807 0.082468 0.915811 1 Si Si58 1 0.250746 0.417476 0.250842 1 Si Si59 1 0.250007 0.416829 0.583234 1 Si Si60 1 0.249136 0.417488 0.915774 1 Si Si61 1 0.249927 0.750057 0.249902 1 Si Si62 1 0.249831 0.750017 0.583285 1 Si Si63 1 0.249900 0.749936 0.916534 1 Si Si64 1 0.583565 0.083397 0.249920 1 Si Si65 1 0.583302 0.083202 0.583441 1 Si Si66 1 0.583529 0.083150 0.916449 1 Si Si67 1 0.583546 0.416809 0.250230 1 Si Si68 1 0.583157 0.416752 0.583432 1 Si Si69 1 0.583386 0.416758 0.916708 1 Si Si70 1 0.583211 0.749993 0.250054 1 Si Si71 1 0.583211 0.750206 0.583345 1 Si Si72 1 0.583364 0.749785 0.916732 1 Si Si73 1 0.916302 0.083155 0.250091 1 Si Si74 1 0.916639 0.083476 0.583398 1 Si Si75 1 0.916541 0.083426 0.916730 1 Si Si76 1 0.916539 0.416816 0.250006 1 Si Si77 1 0.916446 0.416790 0.583199 1 Si Si78 1 0.916415 0.416817 0.916441 1 Si Si79 1 0.916560 0.750054 0.250028 1 Si Si80 1 0.916582 0.750126 0.583319 1 Si Si81 1 0.916650 0.750078 0.916497 1 Si Si82 1 0.999427 0.166614 0.166672 1 Si Si83 1 0.999928 0.166738 0.500069 1 Si Si84 1 0.999412 0.166561 0.832786 1 Si Si85 1 0.999488 0.500625 0.166833 1 Si Si86 1 0.999832 0.500068 0.499869 1 Si Si87 1 0.999868 0.500013 0.833159 1 Si Si88 1 0.999913 0.833157 0.166597 1 Si Si89 1 0.999877 0.833447 0.499942 1 Si Si90 1 0.999950 0.833440 0.833198 1 Si Si91 1 0.335777 0.164254 0.169016 1 Si Si92 1 0.333332 0.166594 0.500017 1 Si Si93 1 0.333314 0.166662 0.832803 1 Si Si94 1 0.333284 0.500436 0.166634 1 Si Si95 1 0.333406 0.500193 0.500111 1 Si Si96 1 0.333374 0.500514 0.832797 1 Si Si97 1 0.333379 0.833187 0.166587 1 Si Si98 1 0.333283 0.833231 0.500076 1 Si Si99 1 0.333271 0.833213 0.833266 1 Si Si100 1 0.666907 0.166702 0.166626 1 Si Si101 1 0.666676 0.166519 0.500229 1 Si Si102 1 0.666754 0.166671 0.833259 1 Si Si103 1 0.666812 0.500044 0.166800 1 Si Si104 1 0.666450 0.500076 0.500033 1 Si Si105 1 0.666567 0.500139 0.833260 1 Si Si106 1 0.666709 0.833077 0.166731 1 Si Si107 1 0.666596 0.833510 0.500004 1 Si Si108 1 0.666531 0.833296 0.833403 1 Si Si109 1 0.082393 0.249191 0.250855 1 Si Si110 1 0.083259 0.250194 0.583210 1 Si Si111 1 0.082486 0.250766 0.915793 1 Si Si112 1 0.083411 0.583518 0.249940 1 Si Si113 1 0.083176 0.583370 0.583182 1 Si Si114 1 0.083048 0.583476 0.916435 1 Si Si115 1 0.083075 0.916430 0.250090 1 Si Si116 1 0.083177 0.916736 0.583315 1 Si Si117 1 0.083320 0.916716 0.916573 1 Si Si118 1 0.417622 0.250714 0.250919 1 Si Si119 1 0.416604 0.249909 0.583298 1 Si Si120 1 0.417552 0.249202 0.915760 1 Si Si121 1 0.416692 0.583496 0.250170 1 Si Si122 1 0.416625 0.583516 0.583463 1 Si Si123 1 0.416518 0.583348 0.916732 1 Si Si124 1 0.416656 0.916589 0.249833 1 Si Si125 1 0.416526 0.916628 0.583267 1 Si Si126 1 0.416797 0.916330 0.916561 1 Si Si127 1 0.750074 0.250122 0.250024 1 Si Si128 1 0.749863 0.250069 0.583341 1 Si Si129 1 0.749906 0.250135 0.916572 1 Si Si130 1 0.749909 0.583484 0.250144 1 Si Si131 1 0.749786 0.583434 0.583314 1 Si Si132 1 0.750065 0.583323 0.916535 1 Si Si133 1 0.749848 0.916564 0.249953 1 Si Si134 1 0.749921 0.916850 0.583382 1 Si Si135 1 0.749979 0.916605 0.916570 1 Si Si136 1 0.166659 0.999419 0.166679 1 Si Si137 1 0.166537 0.999963 0.500018 1 Si Si138 1 0.166500 0.999577 0.832721 1 Si Si139 1 0.164293 0.335591 0.168945 1 Si Si140 1 0.166684 0.333457 0.499995 1 Si Si141 1 0.166595 0.333337 0.832751 1 Si Si142 1 0.166650 0.666795 0.166548 1 Si Si143 1 0.166453 0.666794 0.500035 1 Si Si144 1 0.166510 0.666741 0.833220 1 Si Si145 1 0.500678 0.999454 0.166785 1 Si Si146 1 0.500037 0.999877 0.500033 1 Si Si147 1 0.499897 0.999957 0.833341 1 Si Si148 1 0.500552 0.333300 0.166717 1 Si Si149 1 0.500000 0.333321 0.500157 1 Si Si150 1 0.500529 0.333530 0.832794 1 Si Si151 1 0.500026 0.666648 0.166743 1 Si Si152 1 0.499889 0.666820 0.500056 1 Si Si153 1 0.499930 0.666620 0.833366 1 Si Si154 1 0.833134 0.999857 0.166611 1 Si Si155 1 0.833326 0.000127 0.500059 1 Si Si156 1 0.833351 0.999988 0.833330 1 Si Si157 1 0.833306 0.333453 0.166674 1 Si Si158 1 0.833077 0.333468 0.500061 1 Si Si159 1 0.833115 0.333445 0.833187 1 Si Si160 1 0.833175 0.666785 0.166832 1 Si Si161 1 0.833219 0.666768 0.500015 1 Si Si162 1 0.833342 0.666694 0.833235 1 Si Si163 1 0.082459 0.082426 0.084156 1 Si Si164 1 0.083114 0.083255 0.416803 1 Si Si165 1 0.083296 0.083464 0.749839 1 Si Si166 1 0.082419 0.417545 0.082556 1 Si Si167 1 0.083240 0.416649 0.416647 1 Si Si168 1 0.083111 0.416809 0.749676 1 Si Si169 1 0.083281 0.749998 0.083159 1 Si Si170 1 0.083167 0.750031 0.416660 1 Si Si171 1 0.083257 0.750088 0.749885 1 Si Si172 1 0.417644 0.082429 0.082517 1 Si Si173 1 0.416708 0.083255 0.416773 1 Si Si174 1 0.416686 0.083122 0.749746 1 Si Si175 1 0.417500 0.417415 0.084147 1 Si Si176 1 0.416831 0.416855 0.416928 1 Si Si177 1 0.416514 0.416620 0.749926 1 Si Si178 1 0.416742 0.749848 0.083350 1 Si Si179 1 0.416531 0.750091 0.416667 1 Si Si180 1 0.416572 0.749938 0.750033 1 Si Si181 1 0.750036 0.083298 0.083196 1 Si Si182 1 0.749847 0.083320 0.416768 1 Si Si183 1 0.750112 0.083403 0.750022 1 Si Si184 1 0.750079 0.416824 0.083353 1 Si Si185 1 0.749889 0.416829 0.416738 1 Si Si186 1 0.749785 0.416760 0.749915 1 Si Si187 1 0.749967 0.749865 0.083281 1 Si Si188 1 0.749944 0.750194 0.416679 1 Si Si189 1 0.749895 0.750083 0.750067 1 Si Si190 1 0.164371 0.164345 0.997741 1 Si Si191 1 0.166675 0.166678 0.333795 1 Si Si192 1 0.166542 0.166751 0.666446 1 Si Si193 1 0.166572 0.500472 0.999929 1 Si Si194 1 0.166495 0.500534 0.333829 1 Si Si195 1 0.166550 0.500081 0.666450 1 Si Si196 1 0.166612 0.833268 0.999842 1 Si Si197 1 0.166548 0.833205 0.333321 1 Si Si198 1 0.166475 0.833298 0.666483 1 Si Si199 1 0.500563 0.166664 0.999945 1 Si Si200 1 0.500637 0.166435 0.333911 1 Si Si201 1 0.499953 0.166590 0.666563 1 Si Si202 1 0.500442 0.500496 0.999903 1 Si Si203 1 0.499988 0.500059 0.333377 1 Si Si204 1 0.499906 0.500112 0.666776 1 Si Si205 1 0.500079 0.833092 0.000006 1 Si Si206 1 0.499925 0.833353 0.333335 1 Si Si207 1 0.499852 0.833397 0.666735 1 Si Si208 1 0.833180 0.166771 0.999915 1 Si Si209 1 0.833120 0.166622 0.333407 1 Si Si210 1 0.833186 0.166687 0.666545 1 Si Si211 1 0.833292 0.500101 0.999952 1 Si Si212 1 0.833255 0.500150 0.333428 1 Si Si213 1 0.833146 0.500071 0.666592 1 Si Si214 1 0.833167 0.833155 0.999820 1 Si Si215 1 0.833322 0.833466 0.333346 1 Si Si216 1 0.833220 0.833404 0.666673 1