# generated using pymatgen data_Si215Hg _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 Si215Hg _chemical_formula_sum 'Si215 Hg1' _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 0.250001 0.250000 0.416080 1 Si Si2 1 0.250000 0.250000 0.750595 1 Si Si3 1 0.250001 0.582743 0.083333 1 Si Si4 1 0.249975 0.584482 0.417817 1 Si Si5 1 0.250026 0.584485 0.748851 1 Si Si6 1 0.249999 0.917258 0.083333 1 Si Si7 1 0.250026 0.915518 0.417817 1 Si Si8 1 0.249975 0.915514 0.748850 1 Si Si9 1 0.582742 0.250001 0.083333 1 Si Si10 1 0.584482 0.249974 0.417818 1 Si Si11 1 0.584486 0.250025 0.748851 1 Si Si12 1 0.584484 0.584484 0.083310 1 Si Si13 1 0.583174 0.583174 0.416488 1 Si Si14 1 0.583200 0.583200 0.750134 1 Si Si15 1 0.584483 0.915517 0.083360 1 Si Si16 1 0.583201 0.916799 0.416535 1 Si Si17 1 0.583165 0.916835 0.750168 1 Si Si18 1 0.917257 0.249999 0.083333 1 Si Si19 1 0.915518 0.250025 0.417817 1 Si Si20 1 0.915515 0.249974 0.748850 1 Si Si21 1 0.915517 0.584483 0.083360 1 Si Si22 1 0.916800 0.583201 0.416535 1 Si Si23 1 0.916835 0.583165 0.750167 1 Si Si24 1 0.915516 0.915517 0.083310 1 Si Si25 1 0.916826 0.916826 0.416488 1 Si Si26 1 0.916800 0.916800 0.750134 1 Si Si27 1 0.998592 0.998592 0.000759 1 Si Si28 1 0.000219 0.000218 0.333115 1 Si Si29 1 0.000143 0.000143 0.666790 1 Si Si30 1 0.001327 0.333033 0.000301 1 Si Si31 1 0.998592 0.332574 0.334743 1 Si Si32 1 0.000104 0.333369 0.666726 1 Si Si33 1 0.000107 0.666612 0.999970 1 Si Si34 1 0.000143 0.666543 0.333192 1 Si Si35 1 0.000087 0.666567 0.666767 1 Si Si36 1 0.333034 0.001327 0.000301 1 Si Si37 1 0.332574 0.998593 0.334744 1 Si Si38 1 0.333369 0.000103 0.666727 1 Si Si39 1 0.337086 0.337085 0.996248 1 Si Si40 1 0.333034 0.333034 0.332008 1 Si Si41 1 0.333268 0.333274 0.666943 1 Si Si42 1 0.333274 0.666403 0.000070 1 Si Si43 1 0.333369 0.666610 0.333230 1 Si Si44 1 0.333393 0.667211 0.666116 1 Si Si45 1 0.666610 0.000105 0.999969 1 Si Si46 1 0.666543 0.000143 0.333192 1 Si Si47 1 0.666567 0.000087 0.666767 1 Si Si48 1 0.666400 0.333272 0.000067 1 Si Si49 1 0.666610 0.333368 0.333231 1 Si Si50 1 0.667213 0.333392 0.666115 1 Si Si51 1 0.667196 0.667195 0.999920 1 Si Si52 1 0.666575 0.666575 0.333240 1 Si Si53 1 0.666596 0.666596 0.666738 1 Si Si54 1 0.252112 0.082291 0.251044 1 Si Si55 1 0.250002 0.083498 0.583337 1 Si Si56 1 0.247889 0.082290 0.915625 1 Si Si57 1 0.247888 0.417709 0.251044 1 Si Si58 1 0.249999 0.416503 0.583337 1 Si Si59 1 0.252112 0.417710 0.915625 1 Si Si60 1 0.250000 0.749999 0.249839 1 Si Si61 1 0.249988 0.749987 0.583277 1 Si Si62 1 0.250001 0.750000 0.916835 1 Si Si63 1 0.583047 0.083311 0.250024 1 Si Si64 1 0.583167 0.083302 0.583352 1 Si Si65 1 0.582711 0.083867 0.917202 1 Si Si66 1 0.582709 0.416133 0.249469 1 Si Si67 1 0.583168 0.416702 0.583318 1 Si Si68 1 0.583050 0.416687 0.916647 1 Si Si69 1 0.583169 0.749987 0.250030 1 Si Si70 1 0.583203 0.749999 0.583334 1 Si Si71 1 0.583166 0.750016 0.916636 1 Si Si72 1 0.917292 0.083867 0.249468 1 Si Si73 1 0.916833 0.083299 0.583318 1 Si Si74 1 0.916950 0.083313 0.916648 1 Si Si75 1 0.916952 0.416688 0.250023 1 Si Si76 1 0.916832 0.416698 0.583352 1 Si Si77 1 0.917289 0.416133 0.917202 1 Si Si78 1 0.916832 0.750013 0.250030 1 Si Si79 1 0.916798 0.750001 0.583334 1 Si Si80 1 0.916835 0.749984 0.916635 1 Si Si81 1 0.001327 0.166967 0.166367 1 Si Si82 1 0.000106 0.166633 0.499946 1 Si Si83 1 0.998591 0.167426 0.831927 1 Si Si84 1 0.998592 0.501408 0.165907 1 Si Si85 1 0.000143 0.499857 0.499875 1 Si Si86 1 0.000220 0.499780 0.833555 1 Si Si87 1 0.000102 0.833393 0.166706 1 Si Si88 1 0.000078 0.833434 0.499897 1 Si Si89 1 0.000143 0.833457 0.833477 1 Si Si90 1 0.337085 0.162915 0.170419 1 Si Si91 1 0.333273 0.166734 0.499740 1 Si Si92 1 0.333034 0.166966 0.834662 1 Si Si93 1 0.333033 0.498673 0.166367 1 Si Si94 1 0.333367 0.499895 0.499946 1 Si Si95 1 0.332574 0.501410 0.831927 1 Si Si96 1 0.333267 0.833606 0.166609 1 Si Si97 1 0.333403 0.832798 0.500530 1 Si Si98 1 0.333367 0.833390 0.833440 1 Si Si99 1 0.666394 0.166733 0.166609 1 Si Si100 1 0.667195 0.166591 0.500524 1 Si Si101 1 0.666611 0.166633 0.833440 1 Si Si102 1 0.666607 0.499898 0.166705 1 Si Si103 1 0.666566 0.499922 0.499897 1 Si Si104 1 0.666543 0.499857 0.833477 1 Si Si105 1 0.667212 0.832788 0.166719 1 Si Si106 1 0.666596 0.833404 0.499932 1 Si Si107 1 0.666566 0.833434 0.833421 1 Si Si108 1 0.082291 0.252112 0.251044 1 Si Si109 1 0.083497 0.250001 0.583337 1 Si Si110 1 0.082290 0.247888 0.915625 1 Si Si111 1 0.083312 0.583048 0.250023 1 Si Si112 1 0.083301 0.583167 0.583352 1 Si Si113 1 0.083867 0.582711 0.917202 1 Si Si114 1 0.083867 0.917291 0.249469 1 Si Si115 1 0.083299 0.916832 0.583318 1 Si Si116 1 0.083313 0.916950 0.916647 1 Si Si117 1 0.417709 0.247888 0.251044 1 Si Si118 1 0.416504 0.250008 0.583347 1 Si Si119 1 0.417710 0.252111 0.915625 1 Si Si120 1 0.416133 0.582708 0.249468 1 Si Si121 1 0.416701 0.583168 0.583318 1 Si Si122 1 0.416687 0.583051 0.916648 1 Si Si123 1 0.416689 0.916953 0.250024 1 Si Si124 1 0.416698 0.916832 0.583352 1 Si Si125 1 0.416133 0.917289 0.917202 1 Si Si126 1 0.750001 0.250000 0.249839 1 Si Si127 1 0.750000 0.250000 0.583274 1 Si Si128 1 0.750001 0.249999 0.916835 1 Si Si129 1 0.749987 0.583168 0.250030 1 Si Si130 1 0.749999 0.583202 0.583334 1 Si Si131 1 0.750016 0.583166 0.916635 1 Si Si132 1 0.750013 0.916831 0.250030 1 Si Si133 1 0.750001 0.916798 0.583334 1 Si Si134 1 0.749984 0.916834 0.916635 1 Si Si135 1 0.166967 0.001327 0.166367 1 Si Si136 1 0.166634 0.000106 0.499946 1 Si Si137 1 0.167426 0.998591 0.831926 1 Si Si138 1 0.162915 0.337085 0.170419 1 Si Si139 1 0.166730 0.333270 0.499736 1 Si Si140 1 0.166967 0.333033 0.834662 1 Si Si141 1 0.166732 0.666396 0.166607 1 Si Si142 1 0.166587 0.667190 0.500521 1 Si Si143 1 0.166634 0.666610 0.833439 1 Si Si144 1 0.501408 0.998592 0.165907 1 Si Si145 1 0.499857 0.000143 0.499875 1 Si Si146 1 0.499781 0.000220 0.833555 1 Si Si147 1 0.498673 0.333033 0.166367 1 Si Si148 1 0.499895 0.333368 0.499947 1 Si Si149 1 0.501409 0.332574 0.831926 1 Si Si150 1 0.499897 0.666609 0.166705 1 Si Si151 1 0.499922 0.666566 0.499897 1 Si Si152 1 0.499857 0.666542 0.833477 1 Si Si153 1 0.833391 0.000103 0.166705 1 Si Si154 1 0.833434 0.000078 0.499897 1 Si Si155 1 0.833458 0.000143 0.833477 1 Si Si156 1 0.833604 0.333268 0.166607 1 Si Si157 1 0.832805 0.333409 0.500524 1 Si Si158 1 0.833390 0.333367 0.833439 1 Si Si159 1 0.832788 0.667212 0.166719 1 Si Si160 1 0.833405 0.666596 0.499932 1 Si Si161 1 0.833434 0.666566 0.833420 1 Si Si162 1 0.082291 0.082291 0.081223 1 Si Si163 1 0.083866 0.083866 0.416046 1 Si Si164 1 0.083311 0.083311 0.750287 1 Si Si165 1 0.082291 0.417709 0.085446 1 Si Si166 1 0.083313 0.416687 0.416384 1 Si Si167 1 0.083866 0.416134 0.750626 1 Si Si168 1 0.083497 0.750000 0.083345 1 Si Si169 1 0.083300 0.750017 0.416502 1 Si Si170 1 0.083303 0.749984 0.750167 1 Si Si171 1 0.417710 0.082291 0.085446 1 Si Si172 1 0.416687 0.083314 0.416386 1 Si Si173 1 0.416134 0.083866 0.750626 1 Si Si174 1 0.417710 0.417710 0.081223 1 Si Si175 1 0.416134 0.416134 0.416045 1 Si Si176 1 0.416689 0.416690 0.750288 1 Si Si177 1 0.416504 0.750007 0.083349 1 Si Si178 1 0.416701 0.749984 0.416502 1 Si Si179 1 0.416697 0.750017 0.750166 1 Si Si180 1 0.749993 0.083496 0.083349 1 Si Si181 1 0.750016 0.083299 0.416502 1 Si Si182 1 0.749984 0.083303 0.750166 1 Si Si183 1 0.749999 0.416503 0.083343 1 Si Si184 1 0.749984 0.416701 0.416502 1 Si Si185 1 0.750016 0.416697 0.750166 1 Si Si186 1 0.750000 0.750000 0.083274 1 Si Si187 1 0.750000 0.750000 0.416541 1 Si Si188 1 0.750000 0.750000 0.750133 1 Si Si189 1 0.162915 0.162914 0.996248 1 Si Si190 1 0.166967 0.166966 0.332008 1 Si Si191 1 0.166730 0.166730 0.666939 1 Si Si192 1 0.166967 0.498673 0.000301 1 Si Si193 1 0.167426 0.501408 0.334743 1 Si Si194 1 0.166631 0.499897 0.666726 1 Si Si195 1 0.166728 0.833599 0.000068 1 Si Si196 1 0.166632 0.833390 0.333231 1 Si Si197 1 0.166606 0.832786 0.666116 1 Si Si198 1 0.498673 0.166966 0.000301 1 Si Si199 1 0.501408 0.167426 0.334743 1 Si Si200 1 0.499897 0.166632 0.666727 1 Si Si201 1 0.501408 0.501408 0.000759 1 Si Si202 1 0.499782 0.499782 0.333115 1 Si Si203 1 0.499857 0.499857 0.666790 1 Si Si204 1 0.499894 0.833389 0.999969 1 Si Si205 1 0.499857 0.833457 0.333192 1 Si Si206 1 0.499913 0.833433 0.666767 1 Si Si207 1 0.833597 0.166726 0.000070 1 Si Si208 1 0.833390 0.166631 0.333230 1 Si Si209 1 0.832787 0.166607 0.666115 1 Si Si210 1 0.833388 0.499894 0.999970 1 Si Si211 1 0.833458 0.499857 0.333192 1 Si Si212 1 0.833433 0.499913 0.666767 1 Si Si213 1 0.832805 0.832804 0.999920 1 Si Si214 1 0.833425 0.833425 0.333240 1 Si Si215 1 0.833404 0.833404 0.666738 1 Hg Hg216 1 0.250000 0.250000 0.083334 1