# generated using pymatgen data_Si215W _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 Si215W _chemical_formula_sum 'Si215 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 0.250000 0.250000 0.416299 1 Si Si2 1 0.250000 0.250000 0.750368 1 Si Si3 1 0.250000 0.582964 0.083333 1 Si Si4 1 0.249891 0.583769 0.417102 1 Si Si5 1 0.250109 0.583769 0.749564 1 Si Si6 1 0.250000 0.917036 0.083333 1 Si Si7 1 0.250109 0.916231 0.417102 1 Si Si8 1 0.249891 0.916231 0.749564 1 Si Si9 1 0.582964 0.250000 0.083333 1 Si Si10 1 0.583769 0.249891 0.417102 1 Si Si11 1 0.583769 0.250109 0.749564 1 Si Si12 1 0.583769 0.583769 0.083225 1 Si Si13 1 0.583091 0.583091 0.416424 1 Si Si14 1 0.583157 0.583157 0.750177 1 Si Si15 1 0.583769 0.916231 0.083442 1 Si Si16 1 0.583157 0.916843 0.416490 1 Si Si17 1 0.583091 0.916909 0.750243 1 Si Si18 1 0.917036 0.250000 0.083333 1 Si Si19 1 0.916231 0.250109 0.417102 1 Si Si20 1 0.916231 0.249891 0.749564 1 Si Si21 1 0.916231 0.583769 0.083442 1 Si Si22 1 0.916843 0.583157 0.416490 1 Si Si23 1 0.916909 0.583091 0.750243 1 Si Si24 1 0.916231 0.916231 0.083225 1 Si Si25 1 0.916909 0.916909 0.416424 1 Si Si26 1 0.916843 0.916843 0.750177 1 Si Si27 1 -0.000654 -0.000654 0.000506 1 Si Si28 1 0.000233 0.000233 0.333100 1 Si Si29 1 0.000194 0.000194 0.666820 1 Si Si30 1 0.000197 0.333190 0.000144 1 Si Si31 1 -0.000654 0.332828 0.333987 1 Si Si32 1 0.000060 0.333335 0.666841 1 Si Si33 1 0.000060 0.666492 -0.000001 1 Si Si34 1 0.000194 0.666513 0.333139 1 Si Si35 1 0.000197 0.666560 0.666773 1 Si Si36 1 0.333190 0.000197 0.000144 1 Si Si37 1 0.332828 -0.000654 0.333987 1 Si Si38 1 0.333335 0.000060 0.666841 1 Si Si39 1 0.334557 0.334557 -0.001224 1 Si Si40 1 0.333190 0.333190 0.333137 1 Si Si41 1 0.333255 0.333255 0.666943 1 Si Si42 1 0.333255 0.666390 0.000078 1 Si Si43 1 0.333335 0.666492 0.333273 1 Si Si44 1 0.333242 0.666895 0.666438 1 Si Si45 1 0.666492 0.000060 -0.000001 1 Si Si46 1 0.666513 0.000194 0.333139 1 Si Si47 1 0.666560 0.000197 0.666773 1 Si Si48 1 0.666390 0.333255 0.000078 1 Si Si49 1 0.666492 0.333335 0.333273 1 Si Si50 1 0.666895 0.333242 0.666438 1 Si Si51 1 0.666895 0.666895 0.000092 1 Si Si52 1 0.666560 0.666560 0.333137 1 Si Si53 1 0.666594 0.666594 0.666739 1 Si Si54 1 0.249992 0.082760 0.250574 1 Si Si55 1 0.250000 0.083440 0.583333 1 Si Si56 1 0.250008 0.082760 0.916093 1 Si Si57 1 0.250008 0.417240 0.250574 1 Si Si58 1 0.250000 0.416560 0.583333 1 Si Si59 1 0.249992 0.417240 0.916093 1 Si Si60 1 0.250000 0.750000 0.249893 1 Si Si61 1 0.250000 0.750000 0.583333 1 Si Si62 1 0.250000 0.750000 0.916774 1 Si Si63 1 0.582957 0.083434 0.249900 1 Si Si64 1 0.583222 0.083546 0.583309 1 Si Si65 1 0.583002 0.083694 0.917028 1 Si Si66 1 0.583002 0.416306 0.249639 1 Si Si67 1 0.583222 0.416454 0.583358 1 Si Si68 1 0.582957 0.416566 0.916767 1 Si Si69 1 0.583222 0.750024 0.249787 1 Si Si70 1 0.583139 0.750000 0.583333 1 Si Si71 1 0.583222 0.749976 0.916880 1 Si Si72 1 0.916998 0.083694 0.249639 1 Si Si73 1 0.916778 0.083546 0.583358 1 Si Si74 1 0.917043 0.083434 0.916767 1 Si Si75 1 0.917043 0.416566 0.249900 1 Si Si76 1 0.916778 0.416454 0.583309 1 Si Si77 1 0.916998 0.416306 0.917028 1 Si Si78 1 0.916778 0.749976 0.249787 1 Si Si79 1 0.916861 0.750000 0.583333 1 Si Si80 1 0.916778 0.750024 0.916880 1 Si Si81 1 0.000197 0.166810 0.166523 1 Si Si82 1 0.000060 0.166665 0.499826 1 Si Si83 1 -0.000654 0.167172 0.832680 1 Si Si84 1 -0.000654 0.500654 0.166161 1 Si Si85 1 0.000194 0.499806 0.499846 1 Si Si86 1 0.000233 0.499767 0.833567 1 Si Si87 1 0.000060 0.833508 0.166668 1 Si Si88 1 0.000197 0.833440 0.499894 1 Si Si89 1 0.000194 0.833487 0.833528 1 Si Si90 1 0.334558 0.165442 0.167891 1 Si Si91 1 0.333255 0.166745 0.499724 1 Si Si92 1 0.333190 0.166810 0.833530 1 Si Si93 1 0.333190 0.499803 0.166523 1 Si Si94 1 0.333335 0.499940 0.499826 1 Si Si95 1 0.332828 0.500654 0.832680 1 Si Si96 1 0.333255 0.833610 0.166588 1 Si Si97 1 0.333242 0.833105 0.500229 1 Si Si98 1 0.333335 0.833508 0.833394 1 Si Si99 1 0.666390 0.166745 0.166588 1 Si Si100 1 0.666895 0.166758 0.500229 1 Si Si101 1 0.666492 0.166665 0.833394 1 Si Si102 1 0.666492 0.499940 0.166668 1 Si Si103 1 0.666560 0.499803 0.499894 1 Si Si104 1 0.666513 0.499806 0.833528 1 Si Si105 1 0.666895 0.833105 0.166575 1 Si Si106 1 0.666594 0.833406 0.499928 1 Si Si107 1 0.666560 0.833440 0.833530 1 Si Si108 1 0.082760 0.249992 0.250574 1 Si Si109 1 0.083440 0.250000 0.583333 1 Si Si110 1 0.082760 0.250008 0.916093 1 Si Si111 1 0.083434 0.582957 0.249900 1 Si Si112 1 0.083546 0.583222 0.583309 1 Si Si113 1 0.083694 0.583002 0.917028 1 Si Si114 1 0.083694 0.916998 0.249639 1 Si Si115 1 0.083546 0.916778 0.583358 1 Si Si116 1 0.083434 0.917043 0.916767 1 Si Si117 1 0.417240 0.250008 0.250574 1 Si Si118 1 0.416560 0.250000 0.583333 1 Si Si119 1 0.417240 0.249992 0.916093 1 Si Si120 1 0.416306 0.583002 0.249639 1 Si Si121 1 0.416454 0.583222 0.583358 1 Si Si122 1 0.416566 0.582957 0.916767 1 Si Si123 1 0.416566 0.917043 0.249900 1 Si Si124 1 0.416454 0.916778 0.583309 1 Si Si125 1 0.416306 0.916998 0.917028 1 Si Si126 1 0.750000 0.250000 0.249893 1 Si Si127 1 0.750000 0.250000 0.583333 1 Si Si128 1 0.750000 0.250000 0.916774 1 Si Si129 1 0.750024 0.583222 0.249787 1 Si Si130 1 0.750000 0.583139 0.583333 1 Si Si131 1 0.749976 0.583222 0.916880 1 Si Si132 1 0.749976 0.916778 0.249787 1 Si Si133 1 0.750000 0.916861 0.583333 1 Si Si134 1 0.750024 0.916778 0.916880 1 Si Si135 1 0.166810 0.000197 0.166523 1 Si Si136 1 0.166665 0.000060 0.499826 1 Si Si137 1 0.167172 -0.000654 0.832680 1 Si Si138 1 0.165442 0.334558 0.167891 1 Si Si139 1 0.166745 0.333255 0.499724 1 Si Si140 1 0.166810 0.333190 0.833530 1 Si Si141 1 0.166745 0.666390 0.166588 1 Si Si142 1 0.166758 0.666895 0.500229 1 Si Si143 1 0.166665 0.666492 0.833394 1 Si Si144 1 0.500654 -0.000654 0.166161 1 Si Si145 1 0.499806 0.000194 0.499846 1 Si Si146 1 0.499767 0.000233 0.833567 1 Si Si147 1 0.499803 0.333190 0.166523 1 Si Si148 1 0.499940 0.333335 0.499826 1 Si Si149 1 0.500654 0.332828 0.832680 1 Si Si150 1 0.499940 0.666492 0.166668 1 Si Si151 1 0.499803 0.666560 0.499894 1 Si Si152 1 0.499806 0.666513 0.833528 1 Si Si153 1 0.833508 0.000060 0.166668 1 Si Si154 1 0.833440 0.000197 0.499894 1 Si Si155 1 0.833487 0.000194 0.833528 1 Si Si156 1 0.833610 0.333255 0.166588 1 Si Si157 1 0.833105 0.333242 0.500229 1 Si Si158 1 0.833508 0.333335 0.833394 1 Si Si159 1 0.833105 0.666895 0.166575 1 Si Si160 1 0.833406 0.666594 0.499928 1 Si Si161 1 0.833440 0.666560 0.833530 1 Si Si162 1 0.082760 0.082760 0.083342 1 Si Si163 1 0.083694 0.083694 0.416336 1 Si Si164 1 0.083433 0.083433 0.750377 1 Si Si165 1 0.082760 0.417240 0.083325 1 Si Si166 1 0.083433 0.416567 0.416290 1 Si Si167 1 0.083694 0.416306 0.750331 1 Si Si168 1 0.083440 0.750000 0.083333 1 Si Si169 1 0.083546 0.749976 0.416556 1 Si Si170 1 0.083546 0.750024 0.750111 1 Si Si171 1 0.417240 0.082760 0.083325 1 Si Si172 1 0.416567 0.083433 0.416290 1 Si Si173 1 0.416306 0.083694 0.750331 1 Si Si174 1 0.417240 0.417240 0.083342 1 Si Si175 1 0.416306 0.416306 0.416336 1 Si Si176 1 0.416567 0.416567 0.750377 1 Si Si177 1 0.416560 0.750000 0.083333 1 Si Si178 1 0.416454 0.750024 0.416556 1 Si Si179 1 0.416454 0.749976 0.750111 1 Si Si180 1 0.750000 0.083440 0.083333 1 Si Si181 1 0.749976 0.083546 0.416556 1 Si Si182 1 0.750024 0.083546 0.750111 1 Si Si183 1 0.750000 0.416560 0.083333 1 Si Si184 1 0.750024 0.416454 0.416556 1 Si Si185 1 0.749976 0.416454 0.750111 1 Si Si186 1 0.750000 0.750000 0.083333 1 Si Si187 1 0.750000 0.750000 0.416473 1 Si Si188 1 0.750000 0.750000 0.750194 1 Si Si189 1 0.165443 0.165443 -0.001224 1 Si Si190 1 0.166810 0.166810 0.333137 1 Si Si191 1 0.166745 0.166745 0.666943 1 Si Si192 1 0.166810 0.499803 0.000144 1 Si Si193 1 0.167172 0.500654 0.333987 1 Si Si194 1 0.166665 0.499940 0.666841 1 Si Si195 1 0.166745 0.833610 0.000078 1 Si Si196 1 0.166665 0.833508 0.333273 1 Si Si197 1 0.166758 0.833105 0.666438 1 Si Si198 1 0.499803 0.166810 0.000144 1 Si Si199 1 0.500654 0.167172 0.333987 1 Si Si200 1 0.499940 0.166665 0.666841 1 Si Si201 1 0.500654 0.500654 0.000506 1 Si Si202 1 0.499767 0.499767 0.333100 1 Si Si203 1 0.499806 0.499806 0.666820 1 Si Si204 1 0.499940 0.833508 -0.000001 1 Si Si205 1 0.499806 0.833487 0.333139 1 Si Si206 1 0.499803 0.833440 0.666773 1 Si Si207 1 0.833610 0.166745 0.000078 1 Si Si208 1 0.833508 0.166665 0.333273 1 Si Si209 1 0.833105 0.166758 0.666438 1 Si Si210 1 0.833508 0.499940 -0.000001 1 Si Si211 1 0.833487 0.499806 0.333139 1 Si Si212 1 0.833440 0.499803 0.666773 1 Si Si213 1 0.833105 0.833105 0.000092 1 Si Si214 1 0.833440 0.833440 0.333137 1 Si Si215 1 0.833406 0.833406 0.666739 1 W W216 1 0.250000 0.250000 0.083333 1