# generated using pymatgen data_Si216W _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 Si216W _chemical_formula_sum 'Si216 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 0.249860 0.249031 0.082408 1 Si Si2 1 0.250820 0.250651 0.417022 1 Si Si3 1 0.250068 0.249917 0.749859 1 Si Si4 1 0.250826 0.583658 0.084023 1 Si Si5 1 0.250129 0.583321 0.416654 1 Si Si6 1 0.250040 0.583242 0.749936 1 Si Si7 1 0.250104 0.916461 0.083205 1 Si Si8 1 0.250044 0.916593 0.416582 1 Si Si9 1 0.249999 0.916653 0.749987 1 Si Si10 1 0.583496 0.249940 0.083275 1 Si Si11 1 0.583354 0.249970 0.416640 1 Si Si12 1 0.583340 0.249999 0.749983 1 Si Si13 1 0.583351 0.583307 0.083305 1 Si Si14 1 0.583692 0.582846 0.416181 1 Si Si15 1 0.583411 0.583270 0.749924 1 Si Si16 1 0.583341 0.916651 0.083332 1 Si Si17 1 0.583422 0.916590 0.416597 1 Si Si18 1 0.583343 0.916653 0.749987 1 Si Si19 1 0.913847 0.246212 0.079530 1 Si Si20 1 0.916557 0.248981 0.415703 1 Si Si21 1 0.916697 0.249978 0.749977 1 Si Si22 1 0.916523 0.582393 0.082303 1 Si Si23 1 0.918094 0.583488 0.416830 1 Si Si24 1 0.916687 0.583242 0.749778 1 Si Si25 1 0.916771 0.916590 0.083269 1 Si Si26 1 0.916698 0.916473 0.416551 1 Si Si27 1 0.916924 0.916407 0.749726 1 Si Si28 1 0.000482 0.999638 0.000096 1 Si Si29 1 0.999914 0.999681 0.333018 1 Si Si30 1 0.000081 0.999970 0.666551 1 Si Si31 1 0.000443 0.332890 0.997917 1 Si Si32 1 0.000560 0.332773 0.334572 1 Si Si33 1 0.000136 0.333197 0.666605 1 Si Si34 1 0.999990 0.666552 0.999954 1 Si Si35 1 0.000818 0.666340 0.332736 1 Si Si36 1 0.000078 0.666610 0.666579 1 Si Si37 1 0.333489 0.999845 0.000003 1 Si Si38 1 0.333782 0.999553 0.333228 1 Si Si39 1 0.333417 0.999916 0.666619 1 Si Si40 1 0.333694 0.332850 0.000101 1 Si Si41 1 0.333648 0.333419 0.333020 1 Si Si42 1 0.333366 0.333256 0.666552 1 Si Si43 1 0.333549 0.666739 0.999856 1 Si Si44 1 0.333441 0.666593 0.333241 1 Si Si45 1 0.333440 0.666627 0.666584 1 Si Si46 1 0.666594 0.999783 0.999856 1 Si Si47 1 0.666742 0.999892 0.333241 1 Si Si48 1 0.666706 0.999895 0.666584 1 Si Si49 1 0.666781 0.333344 0.999955 1 Si Si50 1 0.666995 0.332518 0.332739 1 Si Si51 1 0.666724 0.333256 0.666579 1 Si Si52 1 0.666739 0.666594 0.999930 1 Si Si53 1 0.666856 0.666478 0.332955 1 Si Si54 1 0.666970 0.666364 0.666360 1 Si Si55 1 0.251017 0.082314 0.248702 1 Si Si56 1 0.250004 0.083329 0.583324 1 Si Si57 1 0.250593 0.082740 0.916076 1 Si Si58 1 0.249992 0.416674 0.250010 1 Si Si59 1 0.250014 0.416657 0.583320 1 Si Si60 1 0.250983 0.415367 0.915716 1 Si Si61 1 0.250012 0.749988 0.249992 1 Si Si62 1 0.250002 0.749987 0.583322 1 Si Si63 1 0.250005 0.749990 0.916662 1 Si Si64 1 0.583346 0.083321 0.249992 1 Si Si65 1 0.583344 0.083333 0.583320 1 Si Si66 1 0.583344 0.083329 0.916662 1 Si Si67 1 0.583979 0.416137 0.249482 1 Si Si68 1 0.583366 0.416614 0.583300 1 Si Si69 1 0.583346 0.416658 0.916653 1 Si Si70 1 0.583366 0.749967 0.249947 1 Si Si71 1 0.583519 0.749815 0.583147 1 Si Si72 1 0.583345 0.749988 0.916666 1 Si Si73 1 0.916660 0.083340 0.250008 1 Si Si74 1 0.916677 0.083320 0.583320 1 Si Si75 1 0.917966 0.082346 0.915708 1 Si Si76 1 0.913913 0.419420 0.252753 1 Si Si77 1 0.917194 0.416140 0.582680 1 Si Si78 1 0.916656 0.416676 0.916674 1 Si Si79 1 0.917200 0.749351 0.249475 1 Si Si80 1 0.916721 0.749967 0.583299 1 Si Si81 1 0.916674 0.749987 0.916653 1 Si Si82 1 0.000447 0.164583 0.166213 1 Si Si83 1 0.999999 0.166626 0.499884 1 Si Si84 1 0.000408 0.166777 0.833023 1 Si Si85 1 0.000523 0.501259 0.166111 1 Si Si86 1 0.000829 0.499386 0.499669 1 Si Si87 1 0.999869 0.499724 0.833016 1 Si Si88 1 0.000170 0.833239 0.166520 1 Si Si89 1 0.000069 0.833256 0.499931 1 Si Si90 1 0.000065 0.833215 0.833289 1 Si Si91 1 0.333701 0.166741 0.166229 1 Si Si92 1 0.333573 0.166502 0.500084 1 Si Si93 1 0.333481 0.166678 0.833182 1 Si Si94 1 0.333694 0.499648 0.166759 1 Si Si95 1 0.333442 0.499908 0.499926 1 Si Si96 1 0.333762 0.499886 0.832915 1 Si Si97 1 0.333376 0.833212 0.166599 1 Si Si98 1 0.333442 0.833244 0.499966 1 Si Si99 1 0.333418 0.833285 0.833249 1 Si Si100 1 0.666784 0.166626 0.166684 1 Si Si101 1 0.666742 0.166602 0.499926 1 Si Si102 1 0.666582 0.166501 0.833091 1 Si Si103 1 0.666987 0.499403 0.165857 1 Si Si104 1 0.666860 0.499615 0.499803 1 Si Si105 1 0.666721 0.499901 0.833201 1 Si Si106 1 0.666729 0.833251 0.166592 1 Si Si107 1 0.666974 0.833026 0.499695 1 Si Si108 1 0.666705 0.833253 0.833227 1 Si Si109 1 0.087150 0.246182 0.252797 1 Si Si110 1 0.083378 0.249955 0.583212 1 Si Si111 1 0.084274 0.249059 0.916826 1 Si Si112 1 0.084319 0.582385 0.250112 1 Si Si113 1 0.083365 0.583303 0.583312 1 Si Si114 1 0.082676 0.583692 0.915843 1 Si Si115 1 0.083379 0.916618 0.249932 1 Si Si116 1 0.083335 0.916650 0.583326 1 Si Si117 1 0.083461 0.916461 0.916563 1 Si Si118 1 0.416714 0.249957 0.249936 1 Si Si119 1 0.416684 0.249999 0.583327 1 Si Si120 1 0.416869 0.249872 0.916565 1 Si Si121 1 0.416863 0.583228 0.249964 1 Si Si122 1 0.416743 0.583265 0.583247 1 Si Si123 1 0.416721 0.583259 0.916637 1 Si Si124 1 0.416940 0.916395 0.249740 1 Si Si125 1 0.416680 0.916653 0.583324 1 Si Si126 1 0.416680 0.916653 0.916665 1 Si Si127 1 0.750948 0.249015 0.250112 1 Si Si128 1 0.750032 0.249968 0.583312 1 Si Si129 1 0.749642 0.250656 0.915843 1 Si Si130 1 0.749834 0.583499 0.248589 1 Si Si131 1 0.750479 0.582856 0.582957 1 Si Si132 1 0.749978 0.583355 0.916456 1 Si Si133 1 0.750106 0.916470 0.249963 1 Si Si134 1 0.750068 0.916591 0.583246 1 Si Si135 1 0.750079 0.916610 0.916634 1 Si Si136 1 0.166594 0.999629 0.166225 1 Si Si137 1 0.166833 0.999759 0.500082 1 Si Si138 1 0.166656 0.999851 0.833182 1 Si Si139 1 0.168750 0.332886 0.166213 1 Si Si140 1 0.166705 0.333336 0.499885 1 Si Si141 1 0.166555 0.332926 0.833024 1 Si Si142 1 0.166708 0.666549 0.166685 1 Si Si143 1 0.166732 0.666591 0.499926 1 Si Si144 1 0.166830 0.666753 0.833091 1 Si Si145 1 0.500120 0.999959 0.166598 1 Si Si146 1 0.500089 0.999893 0.499968 1 Si Si147 1 0.500048 0.999914 0.833249 1 Si Si148 1 0.500093 0.333166 0.166524 1 Si Si149 1 0.500078 0.333264 0.499933 1 Si Si150 1 0.500117 0.333267 0.833289 1 Si Si151 1 0.500082 0.666604 0.166592 1 Si Si152 1 0.500306 0.666361 0.499696 1 Si Si153 1 0.500079 0.666630 0.833228 1 Si Si154 1 0.833686 0.999638 0.166758 1 Si Si155 1 0.833427 0.999889 0.499924 1 Si Si156 1 0.833452 0.999563 0.832905 1 Si Si157 1 0.832077 0.332810 0.166111 1 Si Si158 1 0.833949 0.332505 0.499669 1 Si Si159 1 0.833610 0.333463 0.833016 1 Si Si160 1 0.833930 0.666344 0.165855 1 Si Si161 1 0.833721 0.666472 0.499800 1 Si Si162 1 0.833433 0.666612 0.833201 1 Si Si163 1 0.084300 0.083473 0.082404 1 Si Si164 1 0.082682 0.082511 0.417019 1 Si Si165 1 0.083419 0.083265 0.749858 1 Si Si166 1 0.087120 0.419486 0.079532 1 Si Si167 1 0.084351 0.416776 0.415701 1 Si Si168 1 0.083354 0.416637 0.749977 1 Si Si169 1 0.083394 0.749835 0.083274 1 Si Si170 1 0.083364 0.749981 0.416639 1 Si Si171 1 0.083335 0.749993 0.749984 1 Si Si172 1 0.416869 0.083232 0.083207 1 Si Si173 1 0.416741 0.083291 0.416583 1 Si Si174 1 0.416679 0.083334 0.749988 1 Si Si175 1 0.416743 0.416564 0.083270 1 Si Si176 1 0.416856 0.416633 0.416555 1 Si Si177 1 0.416921 0.416416 0.749734 1 Si Si178 1 0.416683 0.749992 0.083332 1 Si Si179 1 0.416744 0.749912 0.416598 1 Si Si180 1 0.416680 0.749992 0.749987 1 Si Si181 1 0.749675 0.082506 0.084022 1 Si Si182 1 0.750012 0.083204 0.416654 1 Si Si183 1 0.750094 0.083292 0.749934 1 Si Si184 1 0.750939 0.416811 0.082305 1 Si Si185 1 0.749846 0.415243 0.416833 1 Si Si186 1 0.750091 0.416645 0.749778 1 Si Si187 1 0.750026 0.749982 0.083305 1 Si Si188 1 0.750490 0.749641 0.416180 1 Si Si189 1 0.750063 0.749922 0.749924 1 Si Si190 1 0.167571 0.165762 0.999101 1 Si Si191 1 0.169237 0.164096 0.335101 1 Si Si192 1 0.166733 0.166601 0.666532 1 Si Si193 1 0.169205 0.501784 0.997466 1 Si Si194 1 0.167587 0.499948 0.333255 1 Si Si195 1 0.166758 0.499938 0.666636 1 Si Si196 1 0.166746 0.833154 0.999919 1 Si Si197 1 0.166761 0.833296 0.333276 1 Si Si198 1 0.166766 0.833283 0.666616 1 Si Si199 1 0.500180 0.166588 0.999921 1 Si Si200 1 0.500039 0.166573 0.333276 1 Si Si201 1 0.500052 0.166565 0.666614 1 Si Si202 1 0.500039 0.499949 0.999900 1 Si Si203 1 0.500467 0.499563 0.332892 1 Si Si204 1 0.500115 0.500000 0.666550 1 Si Si205 1 0.500050 0.833284 0.999898 1 Si Si206 1 0.500119 0.833217 0.333334 1 Si Si207 1 0.500103 0.833231 0.666564 1 Si Si208 1 0.831550 0.164123 0.997463 1 Si Si209 1 0.833386 0.165746 0.333256 1 Si Si210 1 0.833396 0.166576 0.666635 1 Si Si211 1 0.833345 0.499988 0.999012 1 Si Si212 1 0.831762 0.501571 0.334910 1 Si Si213 1 0.833767 0.499566 0.666168 1 Si Si214 1 0.833387 0.833293 0.999901 1 Si Si215 1 0.833772 0.832861 0.332886 1 Si Si216 1 0.833334 0.833216 0.666550 1 W W217 1 0.000444 0.332889 0.166214 1