# generated using pymatgen data_RbW48S95 _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 RbW48S95 _chemical_formula_sum 'Rb1 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 Rb Rb1 1 0.083333 0.791707 0.245560 1 W W2 1 0.003467 0.751792 0.509095 1 W W3 1 0.083333 0.871565 0.509104 1 W W4 1 0.000114 0.500817 0.501145 1 W W5 1 0.083333 0.626789 0.504821 1 W W6 1 0.163200 0.751792 0.509095 1 W W7 1 0.248328 0.874141 0.504744 1 W W8 1 0.000096 0.250067 0.499573 1 W W9 1 0.083333 0.375432 0.500052 1 W W10 1 0.166552 0.500817 0.501145 1 W W11 1 0.249467 0.626007 0.501748 1 W W12 1 0.332228 0.749959 0.501638 1 W W13 1 0.416049 0.874611 0.500921 1 W W14 1 0.000653 -0.000847 0.501748 1 W W15 1 0.083333 0.124739 0.500038 1 W W16 1 0.166570 0.250067 0.499573 1 W W17 1 0.249823 0.375332 0.499803 1 W W18 1 0.333019 0.500508 0.500001 1 W W19 1 0.416386 0.625216 0.499969 1 W W20 1 0.499661 0.749940 0.499755 1 W W21 1 0.583333 0.874710 0.499866 1 W W22 1 0.166013 -0.000847 0.501748 1 W W23 1 0.249644 0.124590 0.499957 1 W W24 1 0.333093 0.249933 0.499567 1 W W25 1 0.416483 0.375156 0.499611 1 W W26 1 0.499897 0.500178 0.499566 1 W W27 1 0.583333 0.625104 0.499444 1 W W28 1 0.667006 0.749940 0.499755 1 W W29 1 0.750617 0.874611 0.500921 1 W W30 1 0.332688 -0.000519 0.501060 1 W W31 1 0.416393 0.124674 0.499827 1 W W32 1 0.499870 0.249873 0.499611 1 W W33 1 0.583333 0.375060 0.499613 1 W W34 1 0.666770 0.500178 0.499566 1 W W35 1 0.750280 0.625216 0.499969 1 W W36 1 0.834438 0.749959 0.501638 1 W W37 1 0.918339 0.874141 0.504744 1 W W38 1 0.499770 -0.000402 0.500052 1 W W39 1 0.583333 0.124679 0.499673 1 W W40 1 0.666797 0.249873 0.499611 1 W W41 1 0.750183 0.375156 0.499611 1 W W42 1 0.833648 0.500508 0.500001 1 W W43 1 0.917200 0.626007 0.501748 1 W W44 1 0.666897 -0.000402 0.500052 1 W W45 1 0.750274 0.124674 0.499827 1 W W46 1 0.833574 0.249933 0.499567 1 W W47 1 0.916844 0.375332 0.499803 1 W W48 1 0.833979 -0.000519 0.501060 1 W W49 1 0.917023 0.124590 0.499957 1 S S50 1 0.164092 0.912707 0.394402 1 S S51 1 0.083333 0.543924 0.391871 1 S S52 1 0.163971 0.670658 0.394412 1 S S53 1 0.244752 0.791733 0.394387 1 S S54 1 0.331219 0.915520 0.391761 1 S S55 1 0.083333 0.292057 0.389000 1 S S56 1 0.166455 0.417660 0.389673 1 S S57 1 0.249192 0.542969 0.390196 1 S S58 1 0.332320 0.667213 0.390170 1 S S59 1 0.415203 0.791569 0.389995 1 S S60 1 0.499341 0.916162 0.389588 1 S S61 1 0.083333 0.040677 0.390234 1 S S62 1 0.166531 0.166384 0.389084 1 S S63 1 0.249823 0.291899 0.388927 1 S S64 1 0.333036 0.417142 0.389113 1 S S65 1 0.416278 0.541987 0.389062 1 S S66 1 0.499660 0.666771 0.388887 1 S S67 1 0.583333 0.791511 0.389038 1 S S68 1 0.667326 0.916162 0.389588 1 S S69 1 0.249163 0.040452 0.390177 1 S S70 1 0.332961 0.166271 0.389118 1 S S71 1 0.416488 0.291659 0.388968 1 S S72 1 0.499906 0.416773 0.388940 1 S S73 1 0.583333 0.541774 0.388752 1 S S74 1 0.667007 0.666771 0.388887 1 S S75 1 0.751464 0.791569 0.389995 1 S S76 1 0.835448 0.915520 0.391761 1 S S77 1 0.415944 0.040951 0.389680 1 S S78 1 0.499805 0.166325 0.389067 1 S S79 1 0.583333 0.291575 0.389044 1 S S80 1 0.666760 0.416773 0.388940 1 S S81 1 0.750389 0.541987 0.389062 1 S S82 1 0.834347 0.667213 0.390170 1 S S83 1 0.921914 0.791733 0.394387 1 S S84 1 0.002575 0.912707 0.394402 1 S S85 1 0.583333 0.041121 0.389237 1 S S86 1 0.666862 0.166325 0.389067 1 S S87 1 0.750179 0.291659 0.388967 1 S S88 1 0.833631 0.417142 0.389113 1 S S89 1 0.917475 0.542969 0.390196 1 S S90 1 0.002696 0.670658 0.394412 1 S S91 1 0.750723 0.040951 0.389680 1 S S92 1 0.833706 0.166271 0.389118 1 S S93 1 0.916844 0.291899 0.388927 1 S S94 1 0.000211 0.417661 0.389673 1 S S95 1 0.917503 0.040452 0.390177 1 S S96 1 0.000136 0.166384 0.389084 1 S S97 1 0.083333 0.791717 0.623090 1 S S98 1 0.165663 0.916982 0.615914 1 S S99 1 0.083333 0.541735 0.612886 1 S S100 1 0.167493 0.667371 0.615940 1 S S101 1 0.249860 0.790733 0.615866 1 S S102 1 0.333475 0.916573 0.612740 1 S S103 1 0.083332 0.291769 0.610363 1 S S104 1 0.166693 0.416853 0.610968 1 S S105 1 0.250197 0.542094 0.611592 1 S S106 1 0.333597 0.666630 0.611739 1 S S107 1 0.416636 0.791280 0.611369 1 S S108 1 0.500056 0.916349 0.610872 1 S S109 1 0.083333 0.041904 0.611770 1 S S110 1 0.166569 0.166755 0.610499 1 S S111 1 0.249862 0.291764 0.610261 1 S S112 1 0.333233 0.416900 0.610420 1 S S113 1 0.416686 0.541813 0.610540 1 S S114 1 0.500067 0.666648 0.610401 1 S S115 1 0.583333 0.791400 0.610395 1 S S116 1 0.666611 0.916349 0.610872 1 S S117 1 0.249587 0.041633 0.611529 1 S S118 1 0.333081 0.166560 0.610365 1 S S119 1 0.416470 0.291661 0.610201 1 S S120 1 0.499921 0.416780 0.610252 1 S S121 1 0.583333 0.541796 0.610204 1 S S122 1 0.666600 0.666648 0.610401 1 S S123 1 0.750031 0.791280 0.611369 1 S S124 1 0.833192 0.916573 0.612740 1 S S125 1 0.416585 0.041484 0.610894 1 S S126 1 0.499914 0.166456 0.610266 1 S S127 1 0.583333 0.291589 0.610217 1 S S128 1 0.666746 0.416780 0.610252 1 S S129 1 0.749980 0.541813 0.610540 1 S S130 1 0.833070 0.666630 0.611739 1 S S131 1 0.916807 0.790733 0.615866 1 S S132 1 0.001004 0.916982 0.615914 1 S S133 1 0.583333 0.041390 0.610482 1 S S134 1 0.666753 0.166456 0.610266 1 S S135 1 0.750197 0.291661 0.610201 1 S S136 1 0.833434 0.416900 0.610420 1 S S137 1 0.916470 0.542094 0.611592 1 S S138 1 -0.000826 0.667371 0.615940 1 S S139 1 0.750081 0.041484 0.610894 1 S S140 1 0.833586 0.166560 0.610365 1 S S141 1 0.916805 0.291764 0.610261 1 S S142 1 -0.000026 0.416853 0.610968 1 S S143 1 0.917080 0.041633 0.611529 1 S S144 1 0.000098 0.166755 0.610499 1