# generated using pymatgen data_HgW48S95 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 19.14455100 _cell_length_b 22.10622300 _cell_length_c 14.20054100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HgW48S95 _chemical_formula_sum 'Hg1 W48 S95' _cell_volume 6009.86369232 _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 Hg Hg1 1 0.083333 0.791744 0.340011 1 W W2 1 -0.000794 0.749742 0.501454 1 W W3 1 0.083333 0.875859 0.501410 1 W W4 1 -0.000147 0.500846 0.500450 1 W W5 1 0.083333 0.627286 0.500799 1 W W6 1 0.167461 0.749742 0.501454 1 W W7 1 0.247997 0.873992 0.500768 1 W W8 1 0.000065 0.250457 0.500413 1 W W9 1 0.083333 0.375767 0.500574 1 W W10 1 0.166814 0.500846 0.500450 1 W W11 1 0.250318 0.625270 0.499774 1 W W12 1 0.333440 0.749731 0.499790 1 W W13 1 0.416346 0.874414 0.500520 1 W W14 1 0.000261 0.000240 0.499763 1 W W15 1 0.083333 0.125445 0.500163 1 W W16 1 0.166602 0.250457 0.500414 1 W W17 1 0.249888 0.375505 0.500384 1 W W18 1 0.333370 0.500326 0.500233 1 W W19 1 0.416932 0.624875 0.500177 1 W W20 1 0.499905 0.749703 0.500447 1 W W21 1 0.583333 0.874515 0.500706 1 W W22 1 0.166406 0.000240 0.499763 1 W W23 1 0.249708 0.125012 0.500216 1 W W24 1 0.333123 0.250077 0.500216 1 W W25 1 0.416608 0.375064 0.500120 1 W W26 1 0.500040 0.499959 0.500214 1 W W27 1 0.583333 0.624872 0.500418 1 W W28 1 0.666761 0.749703 0.500447 1 W W29 1 0.750321 0.874414 0.500520 1 W W30 1 0.332722 -0.000315 0.500388 1 W W31 1 0.416383 0.124588 0.500261 1 W W32 1 0.499896 0.249699 0.499966 1 W W33 1 0.583333 0.374870 0.499938 1 W W34 1 0.666627 0.499959 0.500214 1 W W35 1 0.749735 0.624875 0.500177 1 W W36 1 0.833226 0.749731 0.499790 1 W W37 1 0.918670 0.873992 0.500768 1 W W38 1 0.499745 -0.000612 0.500650 1 W W39 1 0.583333 0.124452 0.500315 1 W W40 1 0.666770 0.249699 0.499966 1 W W41 1 0.750058 0.375064 0.500120 1 W W42 1 0.833297 0.500326 0.500233 1 W W43 1 0.916349 0.625270 0.499774 1 W W44 1 0.666921 -0.000612 0.500650 1 W W45 1 0.750283 0.124588 0.500261 1 W W46 1 0.833543 0.250077 0.500216 1 W W47 1 0.916779 0.375505 0.500384 1 W W48 1 0.833944 -0.000315 0.500388 1 W W49 1 0.916959 0.125012 0.500216 1 S S50 1 0.166560 0.916482 0.389424 1 S S51 1 0.083333 0.543094 0.390308 1 S S52 1 0.166509 0.667068 0.389428 1 S S53 1 0.249754 0.791728 0.389442 1 S S54 1 0.332323 0.915928 0.390308 1 S S55 1 0.083333 0.292340 0.389890 1 S S56 1 0.166535 0.417446 0.389847 1 S S57 1 0.250054 0.541861 0.389343 1 S S58 1 0.334009 0.666422 0.389114 1 S S59 1 0.416870 0.791502 0.389393 1 S S60 1 0.499810 0.916120 0.389986 1 S S61 1 0.083333 0.042421 0.389153 1 S S62 1 0.166636 0.167117 0.389586 1 S S63 1 0.249832 0.292093 0.389757 1 S S64 1 0.333228 0.416927 0.389654 1 S S65 1 0.416782 0.541631 0.389430 1 S S66 1 0.500189 0.666557 0.389516 1 S S67 1 0.583333 0.791371 0.389863 1 S S68 1 0.666857 0.916120 0.389986 1 S S69 1 0.249988 0.041708 0.389354 1 S S70 1 0.333149 0.166575 0.389694 1 S S71 1 0.416495 0.291606 0.389614 1 S S72 1 0.499947 0.416663 0.389495 1 S S73 1 0.583333 0.541660 0.389556 1 S S74 1 0.666478 0.666557 0.389516 1 S S75 1 0.749797 0.791502 0.389393 1 S S76 1 0.834343 0.915928 0.390308 1 S S77 1 0.416397 0.040996 0.389862 1 S S78 1 0.499884 0.166072 0.389727 1 S S79 1 0.583333 0.291390 0.389476 1 S S80 1 0.666720 0.416663 0.389495 1 S S81 1 0.749885 0.541631 0.389430 1 S S82 1 0.832657 0.666422 0.389114 1 S S83 1 0.916913 0.791728 0.389442 1 S S84 1 0.000106 0.916482 0.389424 1 S S85 1 0.583333 0.040892 0.390063 1 S S86 1 0.666783 0.166072 0.389727 1 S S87 1 0.750172 0.291606 0.389614 1 S S88 1 0.833439 0.416927 0.389654 1 S S89 1 0.916613 0.541861 0.389343 1 S S90 1 0.000158 0.667068 0.389428 1 S S91 1 0.750270 0.040996 0.389862 1 S S92 1 0.833518 0.166575 0.389694 1 S S93 1 0.916835 0.292093 0.389757 1 S S94 1 0.000131 0.417446 0.389847 1 S S95 1 0.916679 0.041708 0.389354 1 S S96 1 0.000030 0.167117 0.389586 1 S S97 1 0.083333 0.791784 0.608631 1 S S98 1 0.165312 0.917031 0.612208 1 S S99 1 0.083333 0.542948 0.610733 1 S S100 1 0.167685 0.667719 0.612255 1 S S101 1 0.249662 0.790524 0.612236 1 S S102 1 0.332407 0.916047 0.610722 1 S S103 1 0.083333 0.292246 0.611092 1 S S104 1 0.166689 0.417471 0.611156 1 S S105 1 0.250210 0.542270 0.611110 1 S S106 1 0.333480 0.666668 0.610865 1 S S107 1 0.416390 0.791202 0.611254 1 S S108 1 0.499724 0.916067 0.611378 1 S S109 1 0.083333 0.041889 0.610796 1 S S110 1 0.166602 0.166955 0.610988 1 S S111 1 0.249959 0.292059 0.610945 1 S S112 1 0.333382 0.416942 0.610867 1 S S113 1 0.416781 0.541681 0.611032 1 S S114 1 0.500030 0.666465 0.611269 1 S S115 1 0.583333 0.791227 0.611352 1 S S116 1 0.666942 0.916067 0.611378 1 S S117 1 0.249534 0.041593 0.611011 1 S S118 1 0.333131 0.166586 0.610776 1 S S119 1 0.416651 0.291592 0.610570 1 S S120 1 0.500046 0.416551 0.610667 1 S S121 1 0.583333 0.541529 0.611034 1 S S122 1 0.666637 0.666465 0.611269 1 S S123 1 0.750277 0.791202 0.611254 1 S S124 1 0.834260 0.916047 0.610722 1 S S125 1 0.416219 0.041183 0.611048 1 S S126 1 0.499852 0.166281 0.610622 1 S S127 1 0.583333 0.291409 0.610332 1 S S128 1 0.666621 0.416551 0.610667 1 S S129 1 0.749886 0.541681 0.611032 1 S S130 1 0.833187 0.666668 0.610865 1 S S131 1 0.917005 0.790524 0.612236 1 S S132 1 0.001355 0.917031 0.612208 1 S S133 1 0.583333 0.041104 0.611081 1 S S134 1 0.666815 0.166281 0.610622 1 S S135 1 0.750016 0.291592 0.610570 1 S S136 1 0.833285 0.416942 0.610867 1 S S137 1 0.916457 0.542270 0.611110 1 S S138 1 -0.001018 0.667719 0.612255 1 S S139 1 0.750448 0.041183 0.611048 1 S S140 1 0.833535 0.166586 0.610776 1 S S141 1 0.916708 0.292059 0.610945 1 S S142 1 -0.000022 0.417471 0.611156 1 S S143 1 0.917133 0.041593 0.611011 1 S S144 1 0.000064 0.166955 0.610988 1