# generated using pymatgen data_Si215Os _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 Si215Os _chemical_formula_sum 'Si215 Os1' _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 0.416891 1 Si Si2 1 0.250000 0.250000 0.749778 1 Si Si3 1 0.250001 0.583556 0.083334 1 Si Si4 1 0.250235 0.583491 0.416824 1 Si Si5 1 0.249764 0.583491 0.749842 1 Si Si6 1 0.249999 0.916444 0.083334 1 Si Si7 1 0.249765 0.916509 0.416824 1 Si Si8 1 0.250236 0.916509 0.749842 1 Si Si9 1 0.583556 0.250001 0.083334 1 Si Si10 1 0.583491 0.250235 0.416824 1 Si Si11 1 0.583491 0.249764 0.749842 1 Si Si12 1 0.583491 0.583491 0.083569 1 Si Si13 1 0.583441 0.583441 0.416776 1 Si Si14 1 0.583469 0.583469 0.749865 1 Si Si15 1 0.583491 0.916509 0.083097 1 Si Si16 1 0.583471 0.916529 0.416803 1 Si Si17 1 0.583441 0.916559 0.749894 1 Si Si18 1 0.916444 0.249999 0.083334 1 Si Si19 1 0.916509 0.249765 0.416824 1 Si Si20 1 0.916509 0.250236 0.749842 1 Si Si21 1 0.916509 0.583491 0.083097 1 Si Si22 1 0.916529 0.583471 0.416803 1 Si Si23 1 0.916559 0.583441 0.749894 1 Si Si24 1 0.916509 0.916509 0.083569 1 Si Si25 1 0.916559 0.916559 0.416776 1 Si Si26 1 0.916531 0.916531 0.749865 1 Si Si27 1 -0.000144 -0.000144 -0.000123 1 Si Si28 1 -0.000078 -0.000078 0.333412 1 Si Si29 1 -0.000180 -0.000180 0.666596 1 Si Si30 1 -0.000230 0.333394 -0.000060 1 Si Si31 1 -0.000148 0.333456 0.333475 1 Si Si32 1 -0.000150 0.333500 0.666558 1 Si Si33 1 -0.000150 0.666775 -0.000167 1 Si Si34 1 -0.000180 0.666737 0.333513 1 Si Si35 1 -0.000184 0.666753 0.666580 1 Si Si36 1 0.333394 -0.000230 -0.000060 1 Si Si37 1 0.333456 -0.000148 0.333475 1 Si Si38 1 0.333500 -0.000150 0.666558 1 Si Si39 1 0.331910 0.331910 0.001423 1 Si Si40 1 0.333394 0.333394 0.333563 1 Si Si41 1 0.333415 0.333415 0.666539 1 Si Si42 1 0.333416 0.666792 -0.000083 1 Si Si43 1 0.333500 0.666775 0.333485 1 Si Si44 1 0.333516 0.666728 0.666605 1 Si Si45 1 0.666775 -0.000150 -0.000167 1 Si Si46 1 0.666737 -0.000180 0.333513 1 Si Si47 1 0.666753 -0.000184 0.666580 1 Si Si48 1 0.666792 0.333416 -0.000083 1 Si Si49 1 0.666775 0.333500 0.333485 1 Si Si50 1 0.666728 0.333516 0.666605 1 Si Si51 1 0.666729 0.666729 -0.000183 1 Si Si52 1 0.666754 0.666754 0.333519 1 Si Si53 1 0.666743 0.666743 0.666592 1 Si Si54 1 0.249565 0.083440 0.249894 1 Si Si55 1 0.250002 0.083101 0.583332 1 Si Si56 1 0.250435 0.083439 0.916773 1 Si Si57 1 0.250435 0.416560 0.249894 1 Si Si58 1 0.249998 0.416899 0.583332 1 Si Si59 1 0.249565 0.416561 0.916773 1 Si Si60 1 0.250000 0.750000 0.250235 1 Si Si61 1 0.250000 0.750000 0.583334 1 Si Si62 1 0.250000 0.750000 0.916435 1 Si Si63 1 0.583427 0.083222 0.250109 1 Si Si64 1 0.583503 0.083119 0.583323 1 Si Si65 1 0.583463 0.083222 0.916555 1 Si Si66 1 0.583464 0.416779 0.250112 1 Si Si67 1 0.583503 0.416882 0.583343 1 Si Si68 1 0.583425 0.416777 0.916555 1 Si Si69 1 0.583503 0.750010 0.250215 1 Si Si70 1 0.583532 0.750001 0.583335 1 Si Si71 1 0.583503 0.749991 0.916452 1 Si Si72 1 0.916536 0.083221 0.250112 1 Si Si73 1 0.916497 0.083118 0.583343 1 Si Si74 1 0.916575 0.083223 0.916555 1 Si Si75 1 0.916573 0.416778 0.250109 1 Si Si76 1 0.916497 0.416881 0.583323 1 Si Si77 1 0.916537 0.416778 0.916555 1 Si Si78 1 0.916497 0.749990 0.250215 1 Si Si79 1 0.916468 0.749999 0.583335 1 Si Si80 1 0.916497 0.750009 0.916452 1 Si Si81 1 -0.000229 0.166605 0.166728 1 Si Si82 1 -0.000150 0.166500 0.500109 1 Si Si83 1 -0.000143 0.166545 0.833187 1 Si Si84 1 -0.000144 0.500144 0.166788 1 Si Si85 1 -0.000181 0.500181 0.500070 1 Si Si86 1 -0.000077 0.500077 0.833257 1 Si Si87 1 -0.000150 0.833225 0.166833 1 Si Si88 1 -0.000185 0.833246 0.500088 1 Si Si89 1 -0.000180 0.833263 0.833154 1 Si Si90 1 0.331910 0.168090 0.165243 1 Si Si91 1 0.333419 0.166581 0.500123 1 Si Si92 1 0.333395 0.166605 0.833105 1 Si Si93 1 0.333395 0.500229 0.166728 1 Si Si94 1 0.333500 0.500150 0.500109 1 Si Si95 1 0.333455 0.500143 0.833187 1 Si Si96 1 0.333415 0.833205 0.166748 1 Si Si97 1 0.333516 0.833271 0.500062 1 Si Si98 1 0.333499 0.833224 0.833184 1 Si Si99 1 0.666795 0.166585 0.166748 1 Si Si100 1 0.666729 0.166484 0.500062 1 Si Si101 1 0.666776 0.166501 0.833184 1 Si Si102 1 0.666775 0.500150 0.166833 1 Si Si103 1 0.666754 0.500185 0.500088 1 Si Si104 1 0.666737 0.500180 0.833154 1 Si Si105 1 0.666729 0.833271 0.166849 1 Si Si106 1 0.666743 0.833257 0.500077 1 Si Si107 1 0.666753 0.833247 0.833150 1 Si Si108 1 0.083440 0.249565 0.249894 1 Si Si109 1 0.083101 0.250002 0.583332 1 Si Si110 1 0.083439 0.250435 0.916773 1 Si Si111 1 0.083222 0.583427 0.250109 1 Si Si112 1 0.083119 0.583503 0.583323 1 Si Si113 1 0.083222 0.583463 0.916555 1 Si Si114 1 0.083221 0.916536 0.250112 1 Si Si115 1 0.083118 0.916497 0.583343 1 Si Si116 1 0.083223 0.916575 0.916555 1 Si Si117 1 0.416560 0.250435 0.249894 1 Si Si118 1 0.416899 0.249998 0.583332 1 Si Si119 1 0.416561 0.249565 0.916773 1 Si Si120 1 0.416779 0.583464 0.250112 1 Si Si121 1 0.416882 0.583503 0.583343 1 Si Si122 1 0.416777 0.583425 0.916555 1 Si Si123 1 0.416778 0.916573 0.250109 1 Si Si124 1 0.416881 0.916497 0.583323 1 Si Si125 1 0.416778 0.916537 0.916555 1 Si Si126 1 0.750000 0.250000 0.250235 1 Si Si127 1 0.750000 0.250000 0.583334 1 Si Si128 1 0.750000 0.250000 0.916435 1 Si Si129 1 0.750010 0.583503 0.250215 1 Si Si130 1 0.750001 0.583532 0.583335 1 Si Si131 1 0.749991 0.583503 0.916452 1 Si Si132 1 0.749990 0.916497 0.250215 1 Si Si133 1 0.749999 0.916468 0.583335 1 Si Si134 1 0.750009 0.916497 0.916452 1 Si Si135 1 0.166605 -0.000229 0.166728 1 Si Si136 1 0.166500 -0.000150 0.500109 1 Si Si137 1 0.166545 -0.000143 0.833187 1 Si Si138 1 0.168090 0.331910 0.165243 1 Si Si139 1 0.166581 0.333419 0.500123 1 Si Si140 1 0.166605 0.333395 0.833105 1 Si Si141 1 0.166585 0.666795 0.166748 1 Si Si142 1 0.166484 0.666729 0.500062 1 Si Si143 1 0.166501 0.666776 0.833184 1 Si Si144 1 0.500144 -0.000144 0.166788 1 Si Si145 1 0.500181 -0.000181 0.500070 1 Si Si146 1 0.500077 -0.000077 0.833257 1 Si Si147 1 0.500229 0.333395 0.166728 1 Si Si148 1 0.500150 0.333500 0.500109 1 Si Si149 1 0.500143 0.333455 0.833187 1 Si Si150 1 0.500150 0.666775 0.166833 1 Si Si151 1 0.500185 0.666754 0.500088 1 Si Si152 1 0.500180 0.666737 0.833154 1 Si Si153 1 0.833225 -0.000150 0.166833 1 Si Si154 1 0.833246 -0.000185 0.500088 1 Si Si155 1 0.833263 -0.000180 0.833154 1 Si Si156 1 0.833205 0.333415 0.166748 1 Si Si157 1 0.833271 0.333516 0.500062 1 Si Si158 1 0.833224 0.333499 0.833184 1 Si Si159 1 0.833271 0.666729 0.166849 1 Si Si160 1 0.833257 0.666743 0.500077 1 Si Si161 1 0.833247 0.666753 0.833150 1 Si Si162 1 0.083439 0.083439 0.083768 1 Si Si163 1 0.083222 0.083222 0.416797 1 Si Si164 1 0.083223 0.083223 0.749906 1 Si Si165 1 0.083439 0.416561 0.082898 1 Si Si166 1 0.083220 0.416780 0.416756 1 Si Si167 1 0.083222 0.416778 0.749870 1 Si Si168 1 0.083100 0.750001 0.083332 1 Si Si169 1 0.083118 0.749990 0.416837 1 Si Si170 1 0.083119 0.750010 0.749830 1 Si Si171 1 0.416561 0.083439 0.082898 1 Si Si172 1 0.416780 0.083220 0.416756 1 Si Si173 1 0.416778 0.083222 0.749870 1 Si Si174 1 0.416561 0.416561 0.083768 1 Si Si175 1 0.416778 0.416778 0.416797 1 Si Si176 1 0.416777 0.416777 0.749906 1 Si Si177 1 0.416900 0.749999 0.083332 1 Si Si178 1 0.416882 0.750010 0.416837 1 Si Si179 1 0.416881 0.749990 0.749830 1 Si Si180 1 0.750001 0.083100 0.083332 1 Si Si181 1 0.749990 0.083118 0.416837 1 Si Si182 1 0.750010 0.083119 0.749830 1 Si Si183 1 0.749999 0.416900 0.083332 1 Si Si184 1 0.750010 0.416882 0.416837 1 Si Si185 1 0.749990 0.416881 0.749830 1 Si Si186 1 0.750000 0.750000 0.083334 1 Si Si187 1 0.750000 0.750000 0.416868 1 Si Si188 1 0.750000 0.750000 0.749803 1 Si Si189 1 0.168090 0.168090 0.001423 1 Si Si190 1 0.166606 0.166606 0.333563 1 Si Si191 1 0.166585 0.166585 0.666539 1 Si Si192 1 0.166606 0.500230 -0.000060 1 Si Si193 1 0.166544 0.500148 0.333475 1 Si Si194 1 0.166500 0.500150 0.666558 1 Si Si195 1 0.166584 0.833208 -0.000083 1 Si Si196 1 0.166500 0.833225 0.333485 1 Si Si197 1 0.166484 0.833272 0.666605 1 Si Si198 1 0.500230 0.166606 -0.000060 1 Si Si199 1 0.500148 0.166544 0.333475 1 Si Si200 1 0.500150 0.166500 0.666558 1 Si Si201 1 0.500144 0.500144 -0.000123 1 Si Si202 1 0.500078 0.500078 0.333412 1 Si Si203 1 0.500180 0.500180 0.666596 1 Si Si204 1 0.500150 0.833225 -0.000167 1 Si Si205 1 0.500180 0.833263 0.333513 1 Si Si206 1 0.500184 0.833247 0.666580 1 Si Si207 1 0.833208 0.166584 -0.000083 1 Si Si208 1 0.833225 0.166500 0.333485 1 Si Si209 1 0.833272 0.166484 0.666605 1 Si Si210 1 0.833225 0.500150 -0.000167 1 Si Si211 1 0.833263 0.500180 0.333513 1 Si Si212 1 0.833247 0.500184 0.666580 1 Si Si213 1 0.833271 0.833271 -0.000183 1 Si Si214 1 0.833246 0.833246 0.333519 1 Si Si215 1 0.833257 0.833257 0.666592 1 Os Os216 1 0.250000 0.250000 0.083334 1