# generated using pymatgen data_ZnSi215 _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 ZnSi215 _chemical_formula_sum 'Zn1 Si215' _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 Zn Zn1 1 0.250000 0.250000 0.083333 1 Si Si2 1 0.250000 0.250000 0.416078 1 Si Si3 1 0.250000 0.250000 0.750590 1 Si Si4 1 0.250000 0.582744 0.083334 1 Si Si5 1 0.250012 0.583842 0.417175 1 Si Si6 1 0.249989 0.583842 0.749492 1 Si Si7 1 0.250000 0.917256 0.083334 1 Si Si8 1 0.249988 0.916158 0.417175 1 Si Si9 1 0.250011 0.916158 0.749492 1 Si Si10 1 0.582744 0.250000 0.083334 1 Si Si11 1 0.583842 0.250012 0.417175 1 Si Si12 1 0.583842 0.249989 0.749492 1 Si Si13 1 0.583842 0.583842 0.083345 1 Si Si14 1 0.583205 0.583206 0.416524 1 Si Si15 1 0.583207 0.583207 0.750127 1 Si Si16 1 0.583842 0.916158 0.083322 1 Si Si17 1 0.583207 0.916793 0.416541 1 Si Si18 1 0.583198 0.916800 0.750131 1 Si Si19 1 0.917256 0.250000 0.083334 1 Si Si20 1 0.916158 0.249988 0.417175 1 Si Si21 1 0.916158 0.250011 0.749492 1 Si Si22 1 0.916158 0.583842 0.083322 1 Si Si23 1 0.916793 0.583207 0.416541 1 Si Si24 1 0.916800 0.583200 0.750133 1 Si Si25 1 0.916158 0.916158 0.083345 1 Si Si26 1 0.916795 0.916794 0.416524 1 Si Si27 1 0.916793 0.916793 0.750127 1 Si Si28 1 -0.000547 -0.000547 0.000518 1 Si Si29 1 0.000205 0.000205 0.333126 1 Si Si30 1 0.000120 0.000119 0.666782 1 Si Si31 1 0.001068 0.333135 0.000198 1 Si Si32 1 -0.000547 0.332815 0.333881 1 Si Si33 1 0.000138 0.333351 0.666752 1 Si Si34 1 0.000138 0.666582 -0.000017 1 Si Si35 1 0.000119 0.666551 0.333215 1 Si Si36 1 0.000081 0.666596 0.666738 1 Si Si37 1 0.333135 0.001068 0.000198 1 Si Si38 1 0.332815 -0.000547 0.333881 1 Si Si39 1 0.333351 0.000138 0.666752 1 Si Si40 1 0.333381 0.333381 -0.000047 1 Si Si41 1 0.333136 0.333136 0.332265 1 Si Si42 1 0.333218 0.333218 0.666913 1 Si Si43 1 0.333218 0.666421 0.000116 1 Si Si44 1 0.333351 0.666582 0.333195 1 Si Si45 1 0.333367 0.666901 0.666432 1 Si Si46 1 0.666582 0.000138 -0.000017 1 Si Si47 1 0.666551 0.000119 0.333215 1 Si Si48 1 0.666596 0.000080 0.666738 1 Si Si49 1 0.666421 0.333218 0.000116 1 Si Si50 1 0.666582 0.333351 0.333195 1 Si Si51 1 0.666901 0.333367 0.666432 1 Si Si52 1 0.666901 0.666901 -0.000033 1 Si Si53 1 0.666603 0.666603 0.333247 1 Si Si54 1 0.666605 0.666604 0.666730 1 Si Si55 1 0.251588 0.083407 0.249926 1 Si Si56 1 0.250000 0.083510 0.583333 1 Si Si57 1 0.248412 0.083407 0.916741 1 Si Si58 1 0.248412 0.416593 0.249926 1 Si Si59 1 0.250000 0.416490 0.583333 1 Si Si60 1 0.251588 0.416593 0.916741 1 Si Si61 1 0.250000 0.750000 0.249824 1 Si Si62 1 0.250000 0.750000 0.583333 1 Si Si63 1 0.250000 0.750000 0.916844 1 Si Si64 1 0.583039 0.083394 0.249939 1 Si Si65 1 0.583188 0.083350 0.583323 1 Si Si66 1 0.582869 0.083708 0.917042 1 Si Si67 1 0.582869 0.416291 0.249625 1 Si Si68 1 0.583188 0.416651 0.583342 1 Si Si69 1 0.583039 0.416606 0.916728 1 Si Si70 1 0.583187 0.750012 0.249982 1 Si Si71 1 0.583223 0.749999 0.583334 1 Si Si72 1 0.583188 0.749990 0.916684 1 Si Si73 1 0.917131 0.083709 0.249625 1 Si Si74 1 0.916812 0.083349 0.583342 1 Si Si75 1 0.916961 0.083394 0.916728 1 Si Si76 1 0.916961 0.416606 0.249939 1 Si Si77 1 0.916812 0.416650 0.583323 1 Si Si78 1 0.917131 0.416291 0.917042 1 Si Si79 1 0.916813 0.749988 0.249982 1 Si Si80 1 0.916777 0.750001 0.583334 1 Si Si81 1 0.916812 0.750010 0.916684 1 Si Si82 1 0.001068 0.166865 0.166469 1 Si Si83 1 0.000138 0.166649 0.499915 1 Si Si84 1 -0.000547 0.167185 0.832786 1 Si Si85 1 -0.000547 0.500547 0.166149 1 Si Si86 1 0.000119 0.499881 0.499885 1 Si Si87 1 0.000207 0.499793 0.833541 1 Si Si88 1 0.000138 0.833419 0.166684 1 Si Si89 1 0.000076 0.833405 0.499926 1 Si Si90 1 0.000119 0.833449 0.833453 1 Si Si91 1 0.333381 0.166619 0.166714 1 Si Si92 1 0.333218 0.166782 0.499755 1 Si Si93 1 0.333135 0.166865 0.834402 1 Si Si94 1 0.333135 0.498932 0.166469 1 Si Si95 1 0.333351 0.499862 0.499915 1 Si Si96 1 0.332815 0.500547 0.832786 1 Si Si97 1 0.333217 0.833579 0.166551 1 Si Si98 1 0.333367 0.833099 0.500235 1 Si Si99 1 0.333351 0.833419 0.833472 1 Si Si100 1 0.666421 0.166783 0.166551 1 Si Si101 1 0.666901 0.166633 0.500234 1 Si Si102 1 0.666582 0.166649 0.833472 1 Si Si103 1 0.666581 0.499862 0.166684 1 Si Si104 1 0.666595 0.499924 0.499926 1 Si Si105 1 0.666551 0.499881 0.833453 1 Si Si106 1 0.666901 0.833099 0.166699 1 Si Si107 1 0.666604 0.833396 0.499940 1 Si Si108 1 0.666594 0.833406 0.833413 1 Si Si109 1 0.083407 0.251588 0.249926 1 Si Si110 1 0.083510 0.250000 0.583333 1 Si Si111 1 0.083407 0.248412 0.916741 1 Si Si112 1 0.083394 0.583039 0.249939 1 Si Si113 1 0.083350 0.583188 0.583323 1 Si Si114 1 0.083709 0.582869 0.917042 1 Si Si115 1 0.083709 0.917131 0.249625 1 Si Si116 1 0.083349 0.916812 0.583342 1 Si Si117 1 0.083394 0.916961 0.916728 1 Si Si118 1 0.416593 0.248412 0.249926 1 Si Si119 1 0.416490 0.250000 0.583333 1 Si Si120 1 0.416593 0.251588 0.916741 1 Si Si121 1 0.416291 0.582869 0.249625 1 Si Si122 1 0.416651 0.583188 0.583342 1 Si Si123 1 0.416606 0.583039 0.916728 1 Si Si124 1 0.416606 0.916961 0.249939 1 Si Si125 1 0.416649 0.916812 0.583323 1 Si Si126 1 0.416292 0.917131 0.917042 1 Si Si127 1 0.750000 0.250000 0.249824 1 Si Si128 1 0.750000 0.250000 0.583333 1 Si Si129 1 0.750000 0.250000 0.916844 1 Si Si130 1 0.750012 0.583187 0.249982 1 Si Si131 1 0.750000 0.583223 0.583333 1 Si Si132 1 0.749990 0.583188 0.916684 1 Si Si133 1 0.749988 0.916813 0.249982 1 Si Si134 1 0.750000 0.916777 0.583333 1 Si Si135 1 0.750010 0.916812 0.916684 1 Si Si136 1 0.166865 0.001068 0.166469 1 Si Si137 1 0.166649 0.000138 0.499915 1 Si Si138 1 0.167185 -0.000547 0.832786 1 Si Si139 1 0.166620 0.333380 0.166714 1 Si Si140 1 0.166782 0.333218 0.499755 1 Si Si141 1 0.166865 0.333135 0.834402 1 Si Si142 1 0.166783 0.666421 0.166551 1 Si Si143 1 0.166633 0.666901 0.500234 1 Si Si144 1 0.166649 0.666582 0.833472 1 Si Si145 1 0.500547 -0.000547 0.166149 1 Si Si146 1 0.499881 0.000119 0.499885 1 Si Si147 1 0.499793 0.000207 0.833540 1 Si Si148 1 0.498932 0.333135 0.166469 1 Si Si149 1 0.499862 0.333351 0.499915 1 Si Si150 1 0.500547 0.332815 0.832786 1 Si Si151 1 0.499862 0.666581 0.166684 1 Si Si152 1 0.499924 0.666595 0.499926 1 Si Si153 1 0.499881 0.666551 0.833453 1 Si Si154 1 0.833419 0.000138 0.166684 1 Si Si155 1 0.833406 0.000076 0.499926 1 Si Si156 1 0.833449 0.000119 0.833453 1 Si Si157 1 0.833579 0.333217 0.166551 1 Si Si158 1 0.833099 0.333367 0.500235 1 Si Si159 1 0.833419 0.333351 0.833472 1 Si Si160 1 0.833099 0.666901 0.166699 1 Si Si161 1 0.833396 0.666604 0.499940 1 Si Si162 1 0.833404 0.666596 0.833414 1 Si Si163 1 0.083407 0.083407 0.081746 1 Si Si164 1 0.083708 0.083708 0.416203 1 Si Si165 1 0.083394 0.083394 0.750294 1 Si Si166 1 0.083407 0.416593 0.084921 1 Si Si167 1 0.083394 0.416606 0.416373 1 Si Si168 1 0.083708 0.416292 0.750464 1 Si Si169 1 0.083510 0.750000 0.083334 1 Si Si170 1 0.083350 0.749990 0.416522 1 Si Si171 1 0.083350 0.750010 0.750146 1 Si Si172 1 0.416593 0.083407 0.084921 1 Si Si173 1 0.416606 0.083394 0.416373 1 Si Si174 1 0.416291 0.083709 0.750464 1 Si Si175 1 0.416593 0.416593 0.081746 1 Si Si176 1 0.416292 0.416292 0.416203 1 Si Si177 1 0.416606 0.416606 0.750294 1 Si Si178 1 0.416490 0.750000 0.083334 1 Si Si179 1 0.416650 0.750010 0.416522 1 Si Si180 1 0.416649 0.749990 0.750146 1 Si Si181 1 0.750000 0.083510 0.083334 1 Si Si182 1 0.749990 0.083350 0.416522 1 Si Si183 1 0.750010 0.083350 0.750146 1 Si Si184 1 0.750000 0.416490 0.083334 1 Si Si185 1 0.750010 0.416650 0.416522 1 Si Si186 1 0.749990 0.416650 0.750146 1 Si Si187 1 0.750000 0.750000 0.083334 1 Si Si188 1 0.750000 0.750000 0.416559 1 Si Si189 1 0.750000 0.750000 0.750111 1 Si Si190 1 0.166619 0.166619 -0.000047 1 Si Si191 1 0.166864 0.166864 0.332265 1 Si Si192 1 0.166782 0.166782 0.666913 1 Si Si193 1 0.166865 0.498932 0.000198 1 Si Si194 1 0.167185 0.500547 0.333881 1 Si Si195 1 0.166649 0.499862 0.666752 1 Si Si196 1 0.166782 0.833579 0.000116 1 Si Si197 1 0.166649 0.833418 0.333195 1 Si Si198 1 0.166633 0.833099 0.666432 1 Si Si199 1 0.498932 0.166865 0.000198 1 Si Si200 1 0.500547 0.167185 0.333881 1 Si Si201 1 0.499862 0.166649 0.666752 1 Si Si202 1 0.500547 0.500547 0.000518 1 Si Si203 1 0.499795 0.499795 0.333126 1 Si Si204 1 0.499881 0.499881 0.666782 1 Si Si205 1 0.499862 0.833418 -0.000017 1 Si Si206 1 0.499881 0.833449 0.333215 1 Si Si207 1 0.499918 0.833403 0.666736 1 Si Si208 1 0.833579 0.166782 0.000116 1 Si Si209 1 0.833418 0.166649 0.333195 1 Si Si210 1 0.833099 0.166633 0.666432 1 Si Si211 1 0.833418 0.499862 -0.000017 1 Si Si212 1 0.833449 0.499881 0.333215 1 Si Si213 1 0.833404 0.499919 0.666738 1 Si Si214 1 0.833099 0.833099 -0.000033 1 Si Si215 1 0.833397 0.833397 0.333246 1 Si Si216 1 0.833395 0.833396 0.666730 1