# generated using pymatgen data_CsSi215 _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 CsSi215 _chemical_formula_sum 'Cs1 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 Cs Cs1 1 0.249999 0.250001 0.083332 1 Si Si2 1 0.250000 0.250000 0.417964 1 Si Si3 1 0.250000 0.250000 0.748703 1 Si Si4 1 0.249998 0.584631 0.083334 1 Si Si5 1 0.250136 0.585075 0.418409 1 Si Si6 1 0.249878 0.585071 0.748259 1 Si Si7 1 0.250002 0.915368 0.083332 1 Si Si8 1 0.249864 0.914925 0.418409 1 Si Si9 1 0.250122 0.914929 0.748259 1 Si Si10 1 0.584632 0.249998 0.083332 1 Si Si11 1 0.585075 0.250136 0.418409 1 Si Si12 1 0.585071 0.249878 0.748259 1 Si Si13 1 0.585075 0.585076 0.083461 1 Si Si14 1 0.583338 0.583338 0.416670 1 Si Si15 1 0.583328 0.583327 0.750006 1 Si Si16 1 0.585072 0.914928 0.083206 1 Si Si17 1 0.583327 0.916673 0.416660 1 Si Si18 1 0.583339 0.916661 0.749997 1 Si Si19 1 0.915368 0.250002 0.083334 1 Si Si20 1 0.914925 0.249864 0.418409 1 Si Si21 1 0.914929 0.250122 0.748259 1 Si Si22 1 0.914927 0.585073 0.083205 1 Si Si23 1 0.916673 0.583326 0.416660 1 Si Si24 1 0.916662 0.583339 0.749997 1 Si Si25 1 0.914924 0.914926 0.083461 1 Si Si26 1 0.916663 0.916663 0.416669 1 Si Si27 1 0.916673 0.916672 0.750007 1 Si Si28 1 0.997980 0.997981 0.000088 1 Si Si29 1 0.000083 0.000082 0.333248 1 Si Si30 1 0.999937 0.999937 0.666662 1 Si Si31 1 0.998421 0.333193 0.000140 1 Si Si32 1 0.997978 0.333246 0.335355 1 Si Si33 1 0.999723 0.333263 0.666406 1 Si Si34 1 0.999726 0.666925 0.000065 1 Si Si35 1 0.999937 0.666671 0.333397 1 Si Si36 1 0.000091 0.666613 0.666721 1 Si Si37 1 0.333193 0.998421 0.000139 1 Si Si38 1 0.333246 0.997978 0.335355 1 Si Si39 1 0.333264 0.999723 0.666406 1 Si Si40 1 0.366395 0.366396 0.966938 1 Si Si41 1 0.333193 0.333193 0.334913 1 Si Si42 1 0.333653 0.333652 0.666262 1 Si Si43 1 0.333653 0.667071 0.999681 1 Si Si44 1 0.333271 0.666928 0.333606 1 Si Si45 1 0.333558 0.667452 0.665882 1 Si Si46 1 0.666924 0.999726 0.000065 1 Si Si47 1 0.666671 0.999937 0.333397 1 Si Si48 1 0.666613 0.000090 0.666721 1 Si Si49 1 0.667072 0.333654 0.999680 1 Si Si50 1 0.666928 0.333271 0.333605 1 Si Si51 1 0.667452 0.333558 0.665882 1 Si Si52 1 0.667456 0.667455 0.999773 1 Si Si53 1 0.666613 0.666612 0.333243 1 Si Si54 1 0.666679 0.666679 0.666653 1 Si Si55 1 0.247626 0.079720 0.253614 1 Si Si56 1 0.250000 0.083318 0.583333 1 Si Si57 1 0.252373 0.079724 0.913057 1 Si Si58 1 0.252374 0.420279 0.253614 1 Si Si59 1 0.250000 0.416682 0.583332 1 Si Si60 1 0.247627 0.420277 0.913057 1 Si Si61 1 0.250000 0.750000 0.250018 1 Si Si62 1 0.250000 0.750000 0.583337 1 Si Si63 1 0.250001 0.750000 0.916651 1 Si Si64 1 0.583324 0.083330 0.250003 1 Si Si65 1 0.583336 0.083323 0.583325 1 Si Si66 1 0.583869 0.083062 0.916386 1 Si Si67 1 0.583872 0.416947 0.250267 1 Si Si68 1 0.583336 0.416677 0.583342 1 Si Si69 1 0.583323 0.416670 0.916665 1 Si Si70 1 0.583336 0.750008 0.250012 1 Si Si71 1 0.583323 0.750000 0.583334 1 Si Si72 1 0.583336 0.749991 0.916655 1 Si Si73 1 0.916128 0.083053 0.250268 1 Si Si74 1 0.916664 0.083322 0.583341 1 Si Si75 1 0.916675 0.083330 0.916664 1 Si Si76 1 0.916676 0.416671 0.250004 1 Si Si77 1 0.916664 0.416678 0.583325 1 Si Si78 1 0.916131 0.416937 0.916387 1 Si Si79 1 0.916663 0.749992 0.250011 1 Si Si80 1 0.916677 0.750000 0.583334 1 Si Si81 1 0.916664 0.750008 0.916656 1 Si Si82 1 0.998421 0.166808 0.166525 1 Si Si83 1 0.999726 0.166730 0.500263 1 Si Si84 1 0.997985 0.166750 0.831319 1 Si Si85 1 0.997985 0.502015 0.166584 1 Si Si86 1 0.999937 0.500063 0.500006 1 Si Si87 1 0.000085 0.499915 0.833418 1 Si Si88 1 0.999718 0.833068 0.166594 1 Si Si89 1 0.000092 0.833387 0.499947 1 Si Si90 1 0.999937 0.833328 0.833271 1 Si Si91 1 0.366396 0.133604 0.199731 1 Si Si92 1 0.333653 0.166347 0.500405 1 Si Si93 1 0.333191 0.166809 0.831755 1 Si Si94 1 0.333193 0.501579 0.166525 1 Si Si95 1 0.333270 0.500274 0.500263 1 Si Si96 1 0.333250 0.502015 0.831319 1 Si Si97 1 0.333653 0.832928 0.166987 1 Si Si98 1 0.333559 0.832546 0.500787 1 Si Si99 1 0.333260 0.833072 0.833054 1 Si Si100 1 0.667072 0.166347 0.166987 1 Si Si101 1 0.667454 0.166441 0.500787 1 Si Si102 1 0.666928 0.166740 0.833054 1 Si Si103 1 0.666932 0.500282 0.166594 1 Si Si104 1 0.666613 0.499908 0.499947 1 Si Si105 1 0.666671 0.500063 0.833271 1 Si Si106 1 0.667452 0.832548 0.166891 1 Si Si107 1 0.666679 0.833321 0.500012 1 Si Si108 1 0.666613 0.833387 0.833424 1 Si Si109 1 0.079721 0.247626 0.253614 1 Si Si110 1 0.083318 0.249999 0.583333 1 Si Si111 1 0.079723 0.252373 0.913057 1 Si Si112 1 0.083329 0.583324 0.250005 1 Si Si113 1 0.083322 0.583335 0.583326 1 Si Si114 1 0.083063 0.583869 0.916387 1 Si Si115 1 0.083052 0.916128 0.250267 1 Si Si116 1 0.083323 0.916663 0.583343 1 Si Si117 1 0.083331 0.916676 0.916664 1 Si Si118 1 0.420280 0.252374 0.253614 1 Si Si119 1 0.416682 0.250000 0.583334 1 Si Si120 1 0.420276 0.247627 0.913057 1 Si Si121 1 0.416947 0.583872 0.250268 1 Si Si122 1 0.416677 0.583335 0.583341 1 Si Si123 1 0.416671 0.583325 0.916663 1 Si Si124 1 0.416671 0.916675 0.250005 1 Si Si125 1 0.416677 0.916664 0.583325 1 Si Si126 1 0.416938 0.916131 0.916386 1 Si Si127 1 0.750000 0.250000 0.250018 1 Si Si128 1 0.750000 0.250000 0.583337 1 Si Si129 1 0.750000 0.250000 0.916652 1 Si Si130 1 0.750009 0.583337 0.250011 1 Si Si131 1 0.750000 0.583322 0.583334 1 Si Si132 1 0.749992 0.583335 0.916656 1 Si Si133 1 0.749991 0.916664 0.250012 1 Si Si134 1 0.750000 0.916678 0.583333 1 Si Si135 1 0.750009 0.916665 0.916656 1 Si Si136 1 0.166808 0.998420 0.166525 1 Si Si137 1 0.166730 0.999727 0.500263 1 Si Si138 1 0.166750 0.997986 0.831319 1 Si Si139 1 0.133605 0.366395 0.199729 1 Si Si140 1 0.166347 0.333653 0.500405 1 Si Si141 1 0.166809 0.333191 0.831755 1 Si Si142 1 0.166347 0.667072 0.166988 1 Si Si143 1 0.166441 0.667454 0.500787 1 Si Si144 1 0.166740 0.666927 0.833054 1 Si Si145 1 0.502015 0.997985 0.166584 1 Si Si146 1 0.500063 0.999937 0.500006 1 Si Si147 1 0.499915 0.000085 0.833418 1 Si Si148 1 0.501580 0.333192 0.166525 1 Si Si149 1 0.500274 0.333270 0.500263 1 Si Si150 1 0.502014 0.333250 0.831319 1 Si Si151 1 0.500280 0.666934 0.166595 1 Si Si152 1 0.499909 0.666613 0.499946 1 Si Si153 1 0.500062 0.666672 0.833272 1 Si Si154 1 0.833066 0.999720 0.166595 1 Si Si155 1 0.833387 0.000091 0.499947 1 Si Si156 1 0.833328 0.999938 0.833272 1 Si Si157 1 0.832928 0.333654 0.166988 1 Si Si158 1 0.832546 0.333559 0.500787 1 Si Si159 1 0.833072 0.333260 0.833054 1 Si Si160 1 0.832548 0.667452 0.166891 1 Si Si161 1 0.833321 0.666679 0.500013 1 Si Si162 1 0.833387 0.666612 0.833425 1 Si Si163 1 0.079723 0.079723 0.085707 1 Si Si164 1 0.083056 0.083056 0.417199 1 Si Si165 1 0.083327 0.083328 0.750007 1 Si Si166 1 0.079722 0.420278 0.080960 1 Si Si167 1 0.083329 0.416671 0.416659 1 Si Si168 1 0.083060 0.416940 0.749465 1 Si Si169 1 0.083319 0.750000 0.083333 1 Si Si170 1 0.083322 0.749991 0.416668 1 Si Si171 1 0.083322 0.750009 0.749997 1 Si Si172 1 0.420277 0.079723 0.080960 1 Si Si173 1 0.416670 0.083330 0.416659 1 Si Si174 1 0.416940 0.083060 0.749465 1 Si Si175 1 0.420278 0.420277 0.085706 1 Si Si176 1 0.416944 0.416944 0.417199 1 Si Si177 1 0.416671 0.416671 0.750007 1 Si Si178 1 0.416682 0.750001 0.083332 1 Si Si179 1 0.416678 0.750008 0.416669 1 Si Si180 1 0.416678 0.749991 0.749997 1 Si Si181 1 0.749999 0.083318 0.083332 1 Si Si182 1 0.749993 0.083322 0.416669 1 Si Si183 1 0.750009 0.083322 0.749997 1 Si Si184 1 0.750000 0.416681 0.083333 1 Si Si185 1 0.750008 0.416677 0.416669 1 Si Si186 1 0.749992 0.416677 0.749999 1 Si Si187 1 0.750000 0.750000 0.083337 1 Si Si188 1 0.750000 0.750000 0.416657 1 Si Si189 1 0.750000 0.750000 0.750012 1 Si Si190 1 0.133605 0.133605 0.966938 1 Si Si191 1 0.166807 0.166807 0.334913 1 Si Si192 1 0.166347 0.166347 0.666262 1 Si Si193 1 0.166807 0.501579 0.000140 1 Si Si194 1 0.166754 0.502022 0.335355 1 Si Si195 1 0.166737 0.500277 0.666406 1 Si Si196 1 0.166346 0.832928 0.999680 1 Si Si197 1 0.166729 0.833072 0.333605 1 Si Si198 1 0.166442 0.832548 0.665882 1 Si Si199 1 0.501579 0.166807 0.000139 1 Si Si200 1 0.502022 0.166754 0.335355 1 Si Si201 1 0.500277 0.166736 0.666406 1 Si Si202 1 0.502019 0.502019 0.000088 1 Si Si203 1 0.499917 0.499917 0.333248 1 Si Si204 1 0.500063 0.500062 0.666663 1 Si Si205 1 0.500274 0.833076 0.000065 1 Si Si206 1 0.500063 0.833329 0.333397 1 Si Si207 1 0.499910 0.833387 0.666721 1 Si Si208 1 0.832929 0.166347 0.999681 1 Si Si209 1 0.833072 0.166729 0.333606 1 Si Si210 1 0.832548 0.166442 0.665882 1 Si Si211 1 0.833075 0.500274 0.000065 1 Si Si212 1 0.833329 0.500063 0.333397 1 Si Si213 1 0.833388 0.499909 0.666721 1 Si Si214 1 0.832545 0.832544 0.999773 1 Si Si215 1 0.833388 0.833387 0.333243 1 Si Si216 1 0.833320 0.833321 0.666654 1