# generated using pymatgen data_Si215Sb _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 Si215Sb _chemical_formula_sum 'Si215 Sb1' _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 0.417052 1 Si Si2 1 0.250000 0.250000 0.749614 1 Si Si3 1 0.250000 0.583719 0.083333 1 Si Si4 1 0.250099 0.583896 0.417229 1 Si Si5 1 0.249900 0.583895 0.749438 1 Si Si6 1 0.250000 0.916281 0.083333 1 Si Si7 1 0.249901 0.916104 0.417229 1 Si Si8 1 0.250100 0.916105 0.749438 1 Si Si9 1 0.583719 0.250000 0.083333 1 Si Si10 1 0.583896 0.250099 0.417229 1 Si Si11 1 0.583895 0.249900 0.749438 1 Si Si12 1 0.583895 0.583895 0.083433 1 Si Si13 1 0.583150 0.583150 0.416484 1 Si Si14 1 0.583080 0.583080 0.750254 1 Si Si15 1 0.583895 0.916105 0.083234 1 Si Si16 1 0.583080 0.916920 0.416413 1 Si Si17 1 0.583150 0.916850 0.750183 1 Si Si18 1 0.916281 0.250000 0.083333 1 Si Si19 1 0.916104 0.249901 0.417229 1 Si Si20 1 0.916105 0.250100 0.749438 1 Si Si21 1 0.916105 0.583895 0.083234 1 Si Si22 1 0.916920 0.583080 0.416413 1 Si Si23 1 0.916850 0.583150 0.750183 1 Si Si24 1 0.916105 0.916105 0.083433 1 Si Si25 1 0.916850 0.916850 0.416484 1 Si Si26 1 0.916920 0.916920 0.750254 1 Si Si27 1 -0.000829 -0.000829 -0.000352 1 Si Si28 1 0.000352 0.000352 0.332981 1 Si Si29 1 0.000173 0.000173 0.666493 1 Si Si30 1 -0.000276 0.333463 -0.000130 1 Si Si31 1 -0.000830 0.333685 0.334163 1 Si Si32 1 0.000107 0.333270 0.666403 1 Si Si33 1 0.000107 0.666930 0.000063 1 Si Si34 1 0.000173 0.666840 0.333160 1 Si Si35 1 0.000185 0.666595 0.666738 1 Si Si36 1 0.333463 -0.000276 -0.000130 1 Si Si37 1 0.333685 -0.000830 0.334163 1 Si Si38 1 0.333270 0.000107 0.666403 1 Si Si39 1 0.341523 0.341523 -0.008190 1 Si Si40 1 0.333463 0.333463 0.333610 1 Si Si41 1 0.333387 0.333387 0.666275 1 Si Si42 1 0.333387 0.667058 -0.000054 1 Si Si43 1 0.333270 0.666930 0.333226 1 Si Si44 1 0.333290 0.666965 0.666368 1 Si Si45 1 0.666930 0.000107 0.000063 1 Si Si46 1 0.666840 0.000173 0.333160 1 Si Si47 1 0.666595 0.000185 0.666738 1 Si Si48 1 0.667058 0.333387 -0.000054 1 Si Si49 1 0.666930 0.333270 0.333226 1 Si Si50 1 0.666965 0.333290 0.666368 1 Si Si51 1 0.666965 0.666965 0.000043 1 Si Si52 1 0.666595 0.666595 0.333149 1 Si Si53 1 0.666534 0.666534 0.666800 1 Si Si54 1 0.249147 0.081330 0.252003 1 Si Si55 1 0.250000 0.083485 0.583333 1 Si Si56 1 0.250853 0.081330 0.914663 1 Si Si57 1 0.250853 0.418670 0.252003 1 Si Si58 1 0.250000 0.416515 0.583333 1 Si Si59 1 0.249147 0.418670 0.914663 1 Si Si60 1 0.250000 0.750000 0.249849 1 Si Si61 1 0.250000 0.750000 0.583333 1 Si Si62 1 0.250000 0.750000 0.916818 1 Si Si63 1 0.583410 0.083476 0.249857 1 Si Si64 1 0.583214 0.083523 0.583349 1 Si Si65 1 0.583543 0.083368 0.916701 1 Si Si66 1 0.583543 0.416632 0.249966 1 Si Si67 1 0.583215 0.416476 0.583319 1 Si Si68 1 0.583410 0.416524 0.916809 1 Si Si69 1 0.583215 0.749985 0.249809 1 Si Si70 1 0.583113 0.750000 0.583333 1 Si Si71 1 0.583215 0.750015 0.916857 1 Si Si72 1 0.916457 0.083368 0.249966 1 Si Si73 1 0.916785 0.083524 0.583319 1 Si Si74 1 0.916590 0.083476 0.916809 1 Si Si75 1 0.916590 0.416524 0.249857 1 Si Si76 1 0.916786 0.416477 0.583349 1 Si Si77 1 0.916457 0.416632 0.916701 1 Si Si78 1 0.916785 0.750015 0.249809 1 Si Si79 1 0.916887 0.750000 0.583333 1 Si Si80 1 0.916785 0.749985 0.916857 1 Si Si81 1 -0.000277 0.166537 0.166797 1 Si Si82 1 0.000107 0.166730 0.500264 1 Si Si83 1 -0.000829 0.166315 0.832504 1 Si Si84 1 -0.000829 0.500829 0.167018 1 Si Si85 1 0.000173 0.499827 0.500173 1 Si Si86 1 0.000352 0.499648 0.833685 1 Si Si87 1 0.000107 0.833070 0.166604 1 Si Si88 1 0.000186 0.833405 0.499929 1 Si Si89 1 0.000173 0.833160 0.833506 1 Si Si90 1 0.341523 0.158477 0.174857 1 Si Si91 1 0.333387 0.166613 0.500392 1 Si Si92 1 0.333463 0.166537 0.833057 1 Si Si93 1 0.333463 0.500277 0.166797 1 Si Si94 1 0.333270 0.499893 0.500264 1 Si Si95 1 0.333685 0.500829 0.832504 1 Si Si96 1 0.333387 0.832941 0.166720 1 Si Si97 1 0.333291 0.833034 0.500299 1 Si Si98 1 0.333270 0.833070 0.833441 1 Si Si99 1 0.667059 0.166613 0.166720 1 Si Si100 1 0.666966 0.166709 0.500299 1 Si Si101 1 0.666930 0.166730 0.833441 1 Si Si102 1 0.666930 0.499893 0.166604 1 Si Si103 1 0.666595 0.499814 0.499929 1 Si Si104 1 0.666840 0.499827 0.833506 1 Si Si105 1 0.666965 0.833035 0.166624 1 Si Si106 1 0.666534 0.833466 0.499867 1 Si Si107 1 0.666595 0.833405 0.833519 1 Si Si108 1 0.081330 0.249147 0.252003 1 Si Si109 1 0.083485 0.250000 0.583333 1 Si Si110 1 0.081330 0.250853 0.914663 1 Si Si111 1 0.083476 0.583410 0.249857 1 Si Si112 1 0.083523 0.583214 0.583349 1 Si Si113 1 0.083368 0.583543 0.916701 1 Si Si114 1 0.083368 0.916457 0.249966 1 Si Si115 1 0.083524 0.916785 0.583319 1 Si Si116 1 0.083476 0.916590 0.916809 1 Si Si117 1 0.418670 0.250853 0.252003 1 Si Si118 1 0.416515 0.250000 0.583333 1 Si Si119 1 0.418670 0.249147 0.914663 1 Si Si120 1 0.416632 0.583543 0.249966 1 Si Si121 1 0.416476 0.583215 0.583319 1 Si Si122 1 0.416524 0.583410 0.916809 1 Si Si123 1 0.416524 0.916590 0.249857 1 Si Si124 1 0.416477 0.916786 0.583349 1 Si Si125 1 0.416632 0.916457 0.916701 1 Si Si126 1 0.750000 0.250000 0.249849 1 Si Si127 1 0.750000 0.250000 0.583333 1 Si Si128 1 0.750000 0.250000 0.916818 1 Si Si129 1 0.749985 0.583215 0.249809 1 Si Si130 1 0.750000 0.583113 0.583333 1 Si Si131 1 0.750015 0.583215 0.916857 1 Si Si132 1 0.750015 0.916785 0.249809 1 Si Si133 1 0.750000 0.916887 0.583333 1 Si Si134 1 0.749985 0.916785 0.916857 1 Si Si135 1 0.166537 -0.000277 0.166797 1 Si Si136 1 0.166730 0.000107 0.500264 1 Si Si137 1 0.166315 -0.000829 0.832504 1 Si Si138 1 0.158477 0.341523 0.174857 1 Si Si139 1 0.166613 0.333387 0.500392 1 Si Si140 1 0.166537 0.333463 0.833057 1 Si Si141 1 0.166613 0.667059 0.166720 1 Si Si142 1 0.166709 0.666966 0.500299 1 Si Si143 1 0.166730 0.666930 0.833441 1 Si Si144 1 0.500829 -0.000829 0.167018 1 Si Si145 1 0.499827 0.000173 0.500173 1 Si Si146 1 0.499648 0.000352 0.833685 1 Si Si147 1 0.500277 0.333463 0.166797 1 Si Si148 1 0.499893 0.333270 0.500264 1 Si Si149 1 0.500829 0.333685 0.832504 1 Si Si150 1 0.499893 0.666930 0.166604 1 Si Si151 1 0.499814 0.666595 0.499929 1 Si Si152 1 0.499827 0.666840 0.833506 1 Si Si153 1 0.833070 0.000107 0.166604 1 Si Si154 1 0.833405 0.000186 0.499929 1 Si Si155 1 0.833160 0.000173 0.833506 1 Si Si156 1 0.832941 0.333387 0.166720 1 Si Si157 1 0.833034 0.333291 0.500299 1 Si Si158 1 0.833070 0.333270 0.833441 1 Si Si159 1 0.833035 0.666965 0.166624 1 Si Si160 1 0.833466 0.666534 0.499867 1 Si Si161 1 0.833405 0.666595 0.833519 1 Si Si162 1 0.081330 0.081330 0.084186 1 Si Si163 1 0.083368 0.083368 0.416876 1 Si Si164 1 0.083476 0.083476 0.749923 1 Si Si165 1 0.081330 0.418670 0.082480 1 Si Si166 1 0.083476 0.416524 0.416743 1 Si Si167 1 0.083368 0.416632 0.749790 1 Si Si168 1 0.083485 0.750000 0.083333 1 Si Si169 1 0.083523 0.750015 0.416548 1 Si Si170 1 0.083524 0.749985 0.750119 1 Si Si171 1 0.418670 0.081330 0.082480 1 Si Si172 1 0.416524 0.083476 0.416743 1 Si Si173 1 0.416632 0.083368 0.749790 1 Si Si174 1 0.418670 0.418670 0.084186 1 Si Si175 1 0.416632 0.416632 0.416876 1 Si Si176 1 0.416524 0.416524 0.749923 1 Si Si177 1 0.416515 0.750000 0.083333 1 Si Si178 1 0.416477 0.749985 0.416548 1 Si Si179 1 0.416476 0.750015 0.750119 1 Si Si180 1 0.750000 0.083485 0.083333 1 Si Si181 1 0.750015 0.083523 0.416548 1 Si Si182 1 0.749985 0.083524 0.750119 1 Si Si183 1 0.750000 0.416515 0.083333 1 Si Si184 1 0.749985 0.416477 0.416548 1 Si Si185 1 0.750015 0.416476 0.750119 1 Si Si186 1 0.750000 0.750000 0.083333 1 Si Si187 1 0.750000 0.750000 0.416446 1 Si Si188 1 0.750000 0.750000 0.750221 1 Si Si189 1 0.158477 0.158477 -0.008190 1 Si Si190 1 0.166537 0.166537 0.333610 1 Si Si191 1 0.166613 0.166613 0.666275 1 Si Si192 1 0.166537 0.500276 -0.000130 1 Si Si193 1 0.166315 0.500830 0.334163 1 Si Si194 1 0.166730 0.499893 0.666403 1 Si Si195 1 0.166613 0.832942 -0.000054 1 Si Si196 1 0.166730 0.833070 0.333226 1 Si Si197 1 0.166710 0.833035 0.666368 1 Si Si198 1 0.500276 0.166537 -0.000130 1 Si Si199 1 0.500830 0.166315 0.334163 1 Si Si200 1 0.499893 0.166730 0.666403 1 Si Si201 1 0.500829 0.500829 -0.000352 1 Si Si202 1 0.499648 0.499648 0.332981 1 Si Si203 1 0.499827 0.499827 0.666493 1 Si Si204 1 0.499893 0.833070 0.000063 1 Si Si205 1 0.499827 0.833160 0.333160 1 Si Si206 1 0.499815 0.833405 0.666738 1 Si Si207 1 0.832942 0.166613 -0.000054 1 Si Si208 1 0.833070 0.166730 0.333226 1 Si Si209 1 0.833035 0.166710 0.666368 1 Si Si210 1 0.833070 0.499893 0.000063 1 Si Si211 1 0.833160 0.499827 0.333160 1 Si Si212 1 0.833405 0.499815 0.666738 1 Si Si213 1 0.833035 0.833035 0.000043 1 Si Si214 1 0.833405 0.833405 0.333149 1 Si Si215 1 0.833466 0.833466 0.666800 1 Sb Sb216 1 0.250000 0.250000 0.083333 1