# generated using pymatgen data_NaW48S95 _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 NaW48S95 _chemical_formula_sum 'Na1 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 Na Na1 1 0.083368 0.798825 0.313628 1 W W2 1 0.005313 0.749412 0.508075 1 W W3 1 0.083327 0.874821 0.512019 1 W W4 1 0.000067 0.500122 0.501261 1 W W5 1 0.083337 0.625326 0.504907 1 W W6 1 0.161360 0.749401 0.508085 1 W W7 1 0.248151 0.874601 0.504369 1 W W8 1 -0.000029 0.249939 0.499649 1 W W9 1 0.083333 0.375008 0.500228 1 W W10 1 0.166603 0.500121 0.501264 1 W W11 1 0.249132 0.625553 0.501237 1 W W12 1 0.331647 0.749976 0.500726 1 W W13 1 0.416015 0.874721 0.500023 1 W W14 1 0.000323 -0.000351 0.502715 1 W W15 1 0.083331 0.124916 0.500505 1 W W16 1 0.166693 0.249938 0.499647 1 W W17 1 0.250008 0.375040 0.499628 1 W W18 1 0.333085 0.500282 0.499376 1 W W19 1 0.416205 0.625208 0.498794 1 W W20 1 0.499455 0.750056 0.498424 1 W W21 1 0.583332 0.874811 0.498843 1 W W22 1 0.166338 -0.000352 0.502715 1 W W23 1 0.249921 0.124762 0.499958 1 W W24 1 0.333338 0.249917 0.499180 1 W W25 1 0.416621 0.375107 0.498812 1 W W26 1 0.499899 0.500227 0.498368 1 W W27 1 0.583335 0.625204 0.498023 1 W W28 1 0.667213 0.750057 0.498423 1 W W29 1 0.750649 0.874722 0.500024 1 W W30 1 0.332918 -0.000334 0.500805 1 W W31 1 0.416591 0.124759 0.499377 1 W W32 1 0.499972 0.249944 0.498847 1 W W33 1 0.583335 0.375108 0.498523 1 W W34 1 0.666772 0.500229 0.498365 1 W W35 1 0.750466 0.625210 0.498790 1 W W36 1 0.835023 0.749980 0.500723 1 W W37 1 0.918513 0.874604 0.504370 1 W W38 1 0.499839 -0.000289 0.499427 1 W W39 1 0.583331 0.124807 0.499107 1 W W40 1 0.666692 0.249945 0.498847 1 W W41 1 0.750047 0.375108 0.498809 1 W W42 1 0.833586 0.500284 0.499371 1 W W43 1 0.917539 0.625556 0.501232 1 W W44 1 0.666823 -0.000288 0.499428 1 W W45 1 0.750071 0.124760 0.499381 1 W W46 1 0.833327 0.249918 0.499181 1 W W47 1 0.916660 0.375041 0.499625 1 W W48 1 0.833744 -0.000333 0.500807 1 W W49 1 0.916741 0.124763 0.499962 1 S S50 1 0.163767 0.913718 0.394761 1 S S51 1 0.083336 0.542784 0.391903 1 S S52 1 0.163157 0.668995 0.392994 1 S S53 1 0.243251 0.791404 0.394103 1 S S54 1 0.331036 0.915718 0.391356 1 S S55 1 0.083333 0.291778 0.389129 1 S S56 1 0.166438 0.417144 0.389712 1 S S57 1 0.248957 0.542448 0.389912 1 S S58 1 0.331720 0.667153 0.389405 1 S S59 1 0.414674 0.791706 0.388950 1 S S60 1 0.499295 0.916367 0.388748 1 S S61 1 0.083330 0.040834 0.391176 1 S S62 1 0.166509 0.166311 0.389263 1 S S63 1 0.249857 0.291689 0.388745 1 S S64 1 0.332959 0.416927 0.388557 1 S S65 1 0.416060 0.541906 0.388062 1 S S66 1 0.499440 0.666830 0.387643 1 S S67 1 0.583333 0.791658 0.387882 1 S S68 1 0.667369 0.916368 0.388750 1 S S69 1 0.249137 0.040655 0.390331 1 S S70 1 0.333080 0.166285 0.388775 1 S S71 1 0.416514 0.291608 0.388211 1 S S72 1 0.499846 0.416745 0.387846 1 S S73 1 0.583334 0.541797 0.387501 1 S S74 1 0.667228 0.666831 0.387642 1 S S75 1 0.751993 0.791708 0.388949 1 S S76 1 0.835628 0.915721 0.391356 1 S S77 1 0.415987 0.041076 0.389184 1 S S78 1 0.499862 0.166362 0.388414 1 S S79 1 0.583332 0.291562 0.388045 1 S S80 1 0.666822 0.416745 0.387845 1 S S81 1 0.750611 0.541907 0.388058 1 S S82 1 0.834950 0.667158 0.389402 1 S S83 1 0.923416 0.791411 0.394099 1 S S84 1 0.002893 0.913721 0.394757 1 S S85 1 0.583332 0.041281 0.388668 1 S S86 1 0.666802 0.166363 0.388415 1 S S87 1 0.750152 0.291608 0.388211 1 S S88 1 0.833710 0.416928 0.388553 1 S S89 1 0.917714 0.542453 0.389909 1 S S90 1 0.003517 0.668999 0.392993 1 S S91 1 0.750675 0.041076 0.389186 1 S S92 1 0.833581 0.166285 0.388779 1 S S93 1 0.916808 0.291689 0.388745 1 S S94 1 0.000231 0.417144 0.389710 1 S S95 1 0.917523 0.040658 0.390333 1 S S96 1 0.000152 0.166311 0.389265 1 S S97 1 0.083336 0.792235 0.622006 1 S S98 1 0.167654 0.918006 0.617408 1 S S99 1 0.083334 0.540641 0.613386 1 S S100 1 0.167495 0.666407 0.616003 1 S S101 1 0.249221 0.790806 0.614450 1 S S102 1 0.333655 0.916502 0.612095 1 S S103 1 0.083331 0.291469 0.610502 1 S S104 1 0.166911 0.416273 0.611088 1 S S105 1 0.250445 0.541714 0.611262 1 S S106 1 0.333483 0.666719 0.610588 1 S S107 1 0.416319 0.791215 0.610128 1 S S108 1 0.500108 0.916297 0.609959 1 S S109 1 0.083332 0.042332 0.612562 1 S S110 1 0.166836 0.166797 0.610709 1 S S111 1 0.250220 0.291590 0.610149 1 S S112 1 0.333589 0.416786 0.609910 1 S S113 1 0.416843 0.541909 0.609489 1 S S114 1 0.500007 0.666735 0.608934 1 S S115 1 0.583334 0.791339 0.608984 1 S S116 1 0.666554 0.916297 0.609959 1 S S117 1 0.250279 0.042059 0.611767 1 S S118 1 0.333510 0.166684 0.610132 1 S S119 1 0.416772 0.291755 0.609607 1 S S120 1 0.500080 0.416911 0.609204 1 S S121 1 0.583335 0.541968 0.608870 1 S S122 1 0.666664 0.666735 0.608933 1 S S123 1 0.750349 0.791215 0.610126 1 S S124 1 0.833007 0.916503 0.612097 1 S S125 1 0.416877 0.041580 0.610511 1 S S126 1 0.500049 0.166654 0.609752 1 S S127 1 0.583332 0.291778 0.609375 1 S S128 1 0.666592 0.416914 0.609203 1 S S129 1 0.749830 0.541911 0.609483 1 S S130 1 0.833187 0.666722 0.610585 1 S S131 1 0.917452 0.790805 0.614448 1 S S132 1 -0.000989 0.918008 0.617410 1 S S133 1 0.583330 0.041479 0.609918 1 S S134 1 0.666613 0.166655 0.609754 1 S S135 1 0.749893 0.291756 0.609607 1 S S136 1 0.833080 0.416789 0.609906 1 S S137 1 0.916224 0.541716 0.611258 1 S S138 1 -0.000825 0.666414 0.615994 1 S S139 1 0.749784 0.041581 0.610515 1 S S140 1 0.833152 0.166686 0.610135 1 S S141 1 0.916443 0.291593 0.610149 1 S S142 1 -0.000244 0.416274 0.611087 1 S S143 1 0.916383 0.042060 0.611772 1 S S144 1 -0.000172 0.166798 0.610711 1