# generated using pymatgen data_Si215Ag _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 Si215Ag _chemical_formula_sum 'Si215 Ag1' _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 0.250000 0.250000 0.416299 1 Si Si2 1 0.250000 0.250000 0.750377 1 Si Si3 1 0.250000 0.582961 0.083332 1 Si Si4 1 0.250096 0.584083 0.417420 1 Si Si5 1 0.249906 0.584088 0.749250 1 Si Si6 1 0.250000 0.917039 0.083332 1 Si Si7 1 0.249904 0.915917 0.417420 1 Si Si8 1 0.250094 0.915912 0.749250 1 Si Si9 1 0.582961 0.250000 0.083332 1 Si Si10 1 0.584083 0.250096 0.417420 1 Si Si11 1 0.584088 0.249906 0.749250 1 Si Si12 1 0.584086 0.584086 0.083426 1 Si Si13 1 0.583219 0.583219 0.416527 1 Si Si14 1 0.583209 0.583209 0.750124 1 Si Si15 1 0.584084 0.915916 0.083236 1 Si Si16 1 0.583209 0.916791 0.416541 1 Si Si17 1 0.583205 0.916795 0.750108 1 Si Si18 1 0.917039 0.250000 0.083332 1 Si Si19 1 0.915917 0.249904 0.417420 1 Si Si20 1 0.915912 0.250094 0.749250 1 Si Si21 1 0.915916 0.584084 0.083236 1 Si Si22 1 0.916791 0.583209 0.416541 1 Si Si23 1 0.916795 0.583205 0.750108 1 Si Si24 1 0.915914 0.915914 0.083426 1 Si Si25 1 0.916781 0.916781 0.416527 1 Si Si26 1 0.916791 0.916791 0.750124 1 Si Si27 1 0.999103 0.999103 0.000414 1 Si Si28 1 0.000174 0.000174 0.333159 1 Si Si29 1 0.000103 0.000103 0.666774 1 Si Si30 1 0.000761 0.333126 0.000207 1 Si Si31 1 0.999104 0.332919 0.334232 1 Si Si32 1 0.000093 0.333355 0.666694 1 Si Si33 1 0.000102 0.666648 0.999985 1 Si Si34 1 0.000104 0.666558 0.333230 1 Si Si35 1 0.000060 0.666590 0.666741 1 Si Si36 1 0.333126 0.000761 0.000207 1 Si Si37 1 0.332919 0.999104 0.334232 1 Si Si38 1 0.333355 0.000093 0.666694 1 Si Si39 1 0.336105 0.336105 0.997228 1 Si Si40 1 0.333126 0.333126 0.332575 1 Si Si41 1 0.333268 0.333268 0.666830 1 Si Si42 1 0.333271 0.666514 0.000070 1 Si Si43 1 0.333353 0.666644 0.333238 1 Si Si44 1 0.333468 0.666997 0.666334 1 Si Si45 1 0.666648 0.000102 0.999985 1 Si Si46 1 0.666558 0.000104 0.333230 1 Si Si47 1 0.666590 0.000060 0.666741 1 Si Si48 1 0.666514 0.333271 0.000070 1 Si Si49 1 0.666644 0.333353 0.333238 1 Si Si50 1 0.666997 0.333468 0.666334 1 Si Si51 1 0.666999 0.666999 0.999864 1 Si Si52 1 0.666598 0.666598 0.333267 1 Si Si53 1 0.666624 0.666624 0.666710 1 Si Si54 1 0.251127 0.082803 0.250531 1 Si Si55 1 0.250001 0.083469 0.583349 1 Si Si56 1 0.248872 0.082803 0.916137 1 Si Si57 1 0.248873 0.417197 0.250531 1 Si Si58 1 0.249999 0.416531 0.583349 1 Si Si59 1 0.251128 0.417197 0.916137 1 Si Si60 1 0.250000 0.750000 0.249866 1 Si Si61 1 0.250000 0.750000 0.583300 1 Si Si62 1 0.250000 0.750000 0.916807 1 Si Si63 1 0.583082 0.083404 0.249930 1 Si Si64 1 0.583186 0.083303 0.583328 1 Si Si65 1 0.582958 0.083659 0.916994 1 Si Si66 1 0.582956 0.416339 0.249673 1 Si Si67 1 0.583187 0.416706 0.583329 1 Si Si68 1 0.583085 0.416595 0.916739 1 Si Si69 1 0.583186 0.750006 0.250030 1 Si Si70 1 0.583209 0.749997 0.583330 1 Si Si71 1 0.583186 0.750004 0.916629 1 Si Si72 1 0.917044 0.083661 0.249673 1 Si Si73 1 0.916813 0.083294 0.583329 1 Si Si74 1 0.916915 0.083405 0.916739 1 Si Si75 1 0.916918 0.416596 0.249930 1 Si Si76 1 0.916814 0.416697 0.583328 1 Si Si77 1 0.917042 0.416341 0.916994 1 Si Si78 1 0.916814 0.749994 0.250030 1 Si Si79 1 0.916791 0.750003 0.583330 1 Si Si80 1 0.916814 0.749996 0.916629 1 Si Si81 1 0.000763 0.166876 0.166457 1 Si Si82 1 0.000100 0.166650 0.499983 1 Si Si83 1 0.999102 0.167081 0.832437 1 Si Si84 1 0.999103 0.500897 0.166251 1 Si Si85 1 0.000104 0.499896 0.499891 1 Si Si86 1 0.000173 0.499827 0.833507 1 Si Si87 1 0.000093 0.833359 0.166690 1 Si Si88 1 0.000048 0.833417 0.499912 1 Si Si89 1 0.000103 0.833442 0.833437 1 Si Si90 1 0.336104 0.163896 0.169439 1 Si Si91 1 0.333268 0.166732 0.499854 1 Si Si92 1 0.333126 0.166874 0.834096 1 Si Si93 1 0.333124 0.499237 0.166457 1 Si Si94 1 0.333350 0.499900 0.499983 1 Si Si95 1 0.332919 0.500898 0.832437 1 Si Si96 1 0.333266 0.833491 0.166606 1 Si Si97 1 0.333464 0.833003 0.500329 1 Si Si98 1 0.333351 0.833354 0.833433 1 Si Si99 1 0.666509 0.166734 0.166606 1 Si Si100 1 0.666997 0.166536 0.500329 1 Si Si101 1 0.666646 0.166649 0.833433 1 Si Si102 1 0.666641 0.499907 0.166690 1 Si Si103 1 0.666583 0.499952 0.499912 1 Si Si104 1 0.666558 0.499897 0.833437 1 Si Si105 1 0.666995 0.833005 0.166794 1 Si Si106 1 0.666622 0.833378 0.499958 1 Si Si107 1 0.666577 0.833423 0.833380 1 Si Si108 1 0.082803 0.251127 0.250531 1 Si Si109 1 0.083469 0.250001 0.583349 1 Si Si110 1 0.082803 0.248872 0.916137 1 Si Si111 1 0.083404 0.583082 0.249930 1 Si Si112 1 0.083303 0.583186 0.583328 1 Si Si113 1 0.083659 0.582958 0.916994 1 Si Si114 1 0.083661 0.917044 0.249673 1 Si Si115 1 0.083294 0.916813 0.583329 1 Si Si116 1 0.083405 0.916915 0.916739 1 Si Si117 1 0.417197 0.248873 0.250531 1 Si Si118 1 0.416531 0.249999 0.583349 1 Si Si119 1 0.417197 0.251128 0.916137 1 Si Si120 1 0.416339 0.582956 0.249673 1 Si Si121 1 0.416706 0.583187 0.583329 1 Si Si122 1 0.416595 0.583085 0.916739 1 Si Si123 1 0.416596 0.916918 0.249930 1 Si Si124 1 0.416697 0.916814 0.583328 1 Si Si125 1 0.416341 0.917042 0.916994 1 Si Si126 1 0.750000 0.250000 0.249866 1 Si Si127 1 0.750000 0.250000 0.583300 1 Si Si128 1 0.750000 0.250000 0.916807 1 Si Si129 1 0.750006 0.583186 0.250030 1 Si Si130 1 0.749997 0.583209 0.583330 1 Si Si131 1 0.750004 0.583186 0.916629 1 Si Si132 1 0.749994 0.916814 0.250030 1 Si Si133 1 0.750003 0.916791 0.583330 1 Si Si134 1 0.749996 0.916814 0.916629 1 Si Si135 1 0.166876 0.000763 0.166457 1 Si Si136 1 0.166650 0.000100 0.499983 1 Si Si137 1 0.167081 0.999102 0.832437 1 Si Si138 1 0.163896 0.336104 0.169439 1 Si Si139 1 0.166732 0.333268 0.499854 1 Si Si140 1 0.166874 0.333126 0.834096 1 Si Si141 1 0.166734 0.666509 0.166606 1 Si Si142 1 0.166536 0.666997 0.500329 1 Si Si143 1 0.166649 0.666646 0.833432 1 Si Si144 1 0.500897 0.999103 0.166251 1 Si Si145 1 0.499896 0.000104 0.499891 1 Si Si146 1 0.499827 0.000173 0.833507 1 Si Si147 1 0.499236 0.333123 0.166456 1 Si Si148 1 0.499900 0.333350 0.499983 1 Si Si149 1 0.500898 0.332919 0.832437 1 Si Si150 1 0.499907 0.666641 0.166690 1 Si Si151 1 0.499952 0.666583 0.499912 1 Si Si152 1 0.499897 0.666558 0.833437 1 Si Si153 1 0.833359 0.000093 0.166690 1 Si Si154 1 0.833417 0.000048 0.499912 1 Si Si155 1 0.833442 0.000103 0.833437 1 Si Si156 1 0.833491 0.333266 0.166606 1 Si Si157 1 0.833003 0.333464 0.500329 1 Si Si158 1 0.833354 0.333351 0.833432 1 Si Si159 1 0.833005 0.666995 0.166794 1 Si Si160 1 0.833378 0.666622 0.499958 1 Si Si161 1 0.833423 0.666577 0.833380 1 Si Si162 1 0.082803 0.082803 0.082206 1 Si Si163 1 0.083660 0.083660 0.416293 1 Si Si164 1 0.083403 0.083403 0.750252 1 Si Si165 1 0.082804 0.417196 0.084461 1 Si Si166 1 0.083406 0.416594 0.416420 1 Si Si167 1 0.083660 0.416340 0.750379 1 Si Si168 1 0.083469 0.750000 0.083350 1 Si Si169 1 0.083296 0.750001 0.416520 1 Si Si170 1 0.083300 0.750001 0.750148 1 Si Si171 1 0.417196 0.082804 0.084461 1 Si Si172 1 0.416594 0.083406 0.416420 1 Si Si173 1 0.416340 0.083660 0.750379 1 Si Si174 1 0.417197 0.417197 0.082205 1 Si Si175 1 0.416340 0.416340 0.416293 1 Si Si176 1 0.416597 0.416597 0.750252 1 Si Si177 1 0.416531 0.750000 0.083350 1 Si Si178 1 0.416704 0.749999 0.416520 1 Si Si179 1 0.416700 0.749999 0.750148 1 Si Si180 1 0.750000 0.083469 0.083350 1 Si Si181 1 0.750001 0.083296 0.416520 1 Si Si182 1 0.750001 0.083300 0.750148 1 Si Si183 1 0.750000 0.416531 0.083350 1 Si Si184 1 0.749999 0.416704 0.416520 1 Si Si185 1 0.749999 0.416700 0.750148 1 Si Si186 1 0.750000 0.750000 0.083316 1 Si Si187 1 0.750000 0.750000 0.416547 1 Si Si188 1 0.750000 0.750000 0.750127 1 Si Si189 1 0.163895 0.163895 0.997228 1 Si Si190 1 0.166874 0.166874 0.332575 1 Si Si191 1 0.166732 0.166732 0.666830 1 Si Si192 1 0.166874 0.499239 0.000207 1 Si Si193 1 0.167081 0.500896 0.334232 1 Si Si194 1 0.166645 0.499907 0.666694 1 Si Si195 1 0.166729 0.833486 0.000070 1 Si Si196 1 0.166647 0.833356 0.333238 1 Si Si197 1 0.166532 0.833003 0.666334 1 Si Si198 1 0.499239 0.166874 0.000207 1 Si Si199 1 0.500896 0.167081 0.334232 1 Si Si200 1 0.499907 0.166645 0.666694 1 Si Si201 1 0.500897 0.500897 0.000414 1 Si Si202 1 0.499826 0.499826 0.333159 1 Si Si203 1 0.499897 0.499897 0.666774 1 Si Si204 1 0.499898 0.833352 0.999985 1 Si Si205 1 0.499896 0.833442 0.333230 1 Si Si206 1 0.499940 0.833410 0.666741 1 Si Si207 1 0.833486 0.166729 0.000070 1 Si Si208 1 0.833356 0.166647 0.333238 1 Si Si209 1 0.833003 0.166532 0.666334 1 Si Si210 1 0.833352 0.499898 0.999985 1 Si Si211 1 0.833442 0.499896 0.333230 1 Si Si212 1 0.833410 0.499940 0.666741 1 Si Si213 1 0.833001 0.833001 0.999864 1 Si Si214 1 0.833402 0.833402 0.333267 1 Si Si215 1 0.833376 0.833376 0.666710 1 Ag Ag216 1 0.250000 0.250000 0.083331 1