# generated using pymatgen data_BeW48S95 _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 BeW48S95 _chemical_formula_sum 'Be1 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 Be Be1 1 0.083333 0.791670 0.397473 1 W W2 1 -0.000038 0.749980 0.505242 1 W W3 1 0.083333 0.875079 0.505235 1 W W4 1 -0.000035 0.500111 0.499899 1 W W5 1 0.083333 0.625765 0.502023 1 W W6 1 0.166704 0.749980 0.505242 1 W W7 1 0.249241 0.874631 0.501903 1 W W8 1 0.000015 0.249936 0.499077 1 W W9 1 0.083333 0.375044 0.499266 1 W W10 1 0.166702 0.500111 0.499899 1 W W11 1 0.249591 0.625262 0.500518 1 W W12 1 0.332882 0.750183 0.500285 1 W W13 1 0.416612 0.874912 0.499514 1 W W14 1 0.000052 -0.000434 0.500538 1 W W15 1 0.083333 0.124856 0.499402 1 W W16 1 0.166652 0.249936 0.499077 1 W W17 1 0.249943 0.375044 0.499255 1 W W18 1 0.333215 0.500139 0.499356 1 W W19 1 0.416563 0.625078 0.499152 1 W W20 1 0.499875 0.750032 0.498725 1 W W21 1 0.583333 0.875001 0.498845 1 W W22 1 0.166615 -0.000434 0.500538 1 W W23 1 0.249929 0.124841 0.499379 1 W W24 1 0.333282 0.249962 0.499315 1 W W25 1 0.416610 0.375041 0.499386 1 W W26 1 0.499952 0.500075 0.499102 1 W W27 1 0.583333 0.625054 0.498666 1 W W28 1 0.666792 0.750032 0.498725 1 W W29 1 0.750055 0.874912 0.499514 1 W W30 1 0.333210 -0.000021 0.499846 1 W W31 1 0.416630 0.124925 0.499495 1 W W32 1 0.499969 0.250001 0.499651 1 W W33 1 0.583333 0.375047 0.499499 1 W W34 1 0.666714 0.500075 0.499102 1 W W35 1 0.750104 0.625078 0.499152 1 W W36 1 0.833784 0.750183 0.500285 1 W W37 1 0.917425 0.874631 0.501903 1 W W38 1 0.499957 -0.000058 0.499298 1 W W39 1 0.583333 0.124972 0.499495 1 W W40 1 0.666697 0.250001 0.499651 1 W W41 1 0.750057 0.375041 0.499386 1 W W42 1 0.833452 0.500139 0.499356 1 W W43 1 0.917075 0.625262 0.500518 1 W W44 1 0.666710 -0.000058 0.499298 1 W W45 1 0.750037 0.124925 0.499495 1 W W46 1 0.833384 0.249962 0.499315 1 W W47 1 0.916724 0.375044 0.499255 1 W W48 1 0.833457 -0.000021 0.499846 1 W W49 1 0.916738 0.124841 0.499379 1 S S50 1 0.165475 0.914640 0.391239 1 S S51 1 0.083333 0.542675 0.390138 1 S S52 1 0.165185 0.668564 0.391273 1 S S53 1 0.247269 0.791831 0.391181 1 S S54 1 0.332280 0.916233 0.389942 1 S S55 1 0.083333 0.291702 0.388375 1 S S56 1 0.166606 0.416972 0.388705 1 S S57 1 0.249604 0.542202 0.389135 1 S S58 1 0.332663 0.666930 0.389273 1 S S59 1 0.415855 0.791701 0.388671 1 S S60 1 0.499709 0.916670 0.388429 1 S S61 1 0.083333 0.041046 0.389438 1 S S62 1 0.166648 0.166417 0.388518 1 S S63 1 0.250031 0.291681 0.388459 1 S S64 1 0.333281 0.416781 0.388619 1 S S65 1 0.416453 0.541734 0.388458 1 S S66 1 0.499761 0.666683 0.388053 1 S S67 1 0.583333 0.791714 0.387991 1 S S68 1 0.666958 0.916670 0.388429 1 S S69 1 0.249639 0.041121 0.389118 1 S S70 1 0.333302 0.166520 0.388679 1 S S71 1 0.416702 0.291638 0.388746 1 S S72 1 0.499985 0.416615 0.388624 1 S S73 1 0.583333 0.541600 0.388196 1 S S74 1 0.666906 0.666683 0.388053 1 S S75 1 0.750812 0.791700 0.388671 1 S S76 1 0.834387 0.916233 0.389942 1 S S77 1 0.416436 0.041532 0.388794 1 S S78 1 0.499969 0.166676 0.388858 1 S S79 1 0.583333 0.291628 0.388948 1 S S80 1 0.666681 0.416615 0.388624 1 S S81 1 0.750214 0.541734 0.388458 1 S S82 1 0.834004 0.666930 0.389273 1 S S83 1 0.919397 0.791831 0.391181 1 S S84 1 0.001192 0.914640 0.391239 1 S S85 1 0.583333 0.041678 0.388640 1 S S86 1 0.666697 0.166676 0.388858 1 S S87 1 0.749965 0.291638 0.388746 1 S S88 1 0.833386 0.416781 0.388619 1 S S89 1 0.917063 0.542202 0.389135 1 S S90 1 0.001482 0.668564 0.391273 1 S S91 1 0.750231 0.041532 0.388794 1 S S92 1 0.833365 0.166520 0.388679 1 S S93 1 0.916636 0.291681 0.388459 1 S S94 1 0.000060 0.416972 0.388705 1 S S95 1 0.917027 0.041121 0.389118 1 S S96 1 0.000019 0.166417 0.388518 1 S S97 1 0.083333 0.791681 0.615103 1 S S98 1 0.167371 0.917356 0.613945 1 S S99 1 0.083333 0.541351 0.611004 1 S S100 1 0.167050 0.665818 0.613972 1 S S101 1 0.251104 0.791809 0.613830 1 S S102 1 0.333753 0.916770 0.610800 1 S S103 1 0.083333 0.291586 0.609788 1 S S104 1 0.166663 0.416535 0.610178 1 S S105 1 0.250158 0.541583 0.610589 1 S S106 1 0.333580 0.666632 0.610418 1 S S107 1 0.416985 0.791568 0.610097 1 S S108 1 0.500166 0.916559 0.609900 1 S S109 1 0.083333 0.041802 0.610622 1 S S110 1 0.166633 0.166680 0.609954 1 S S111 1 0.249897 0.291637 0.609889 1 S S112 1 0.333252 0.416719 0.610049 1 S S113 1 0.416710 0.541779 0.609901 1 S S114 1 0.500108 0.666735 0.609473 1 S S115 1 0.583333 0.791599 0.609359 1 S S116 1 0.666501 0.916559 0.609900 1 S S117 1 0.250030 0.041813 0.610573 1 S S118 1 0.333239 0.166649 0.610107 1 S S119 1 0.416514 0.291698 0.610196 1 S S120 1 0.499936 0.416822 0.610064 1 S S121 1 0.583333 0.541846 0.609644 1 S S122 1 0.666559 0.666735 0.609473 1 S S123 1 0.749681 0.791568 0.610097 1 S S124 1 0.832914 0.916770 0.610800 1 S S125 1 0.416768 0.041630 0.610272 1 S S126 1 0.499974 0.166602 0.610292 1 S S127 1 0.583333 0.291734 0.610383 1 S S128 1 0.666730 0.416822 0.610064 1 S S129 1 0.749956 0.541779 0.609901 1 S S130 1 0.833087 0.666632 0.610418 1 S S131 1 0.915563 0.791809 0.613830 1 S S132 1 -0.000705 0.917356 0.613945 1 S S133 1 0.583333 0.041550 0.610055 1 S S134 1 0.666692 0.166602 0.610292 1 S S135 1 0.750153 0.291698 0.610196 1 S S136 1 0.833415 0.416719 0.610049 1 S S137 1 0.916508 0.541583 0.610589 1 S S138 1 -0.000383 0.665818 0.613972 1 S S139 1 0.749899 0.041630 0.610272 1 S S140 1 0.833427 0.166649 0.610107 1 S S141 1 0.916770 0.291637 0.609889 1 S S142 1 0.000003 0.416535 0.610178 1 S S143 1 0.916636 0.041813 0.610573 1 S S144 1 0.000034 0.166680 0.609954 1