# generated using pymatgen data_BW48S95 _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 BW48S95 _chemical_formula_sum 'B1 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 B B1 1 0.083093 0.785462 0.441148 1 W W2 1 -0.006409 0.750234 0.505022 1 W W3 1 0.083573 0.877819 0.503522 1 W W4 1 -0.000183 0.500299 0.498782 1 W W5 1 0.083278 0.624586 0.500334 1 W W6 1 0.173082 0.750447 0.504852 1 W W7 1 0.250305 0.874146 0.502487 1 W W8 1 0.000174 0.250138 0.497934 1 W W9 1 0.083323 0.375250 0.497995 1 W W10 1 0.166833 0.500314 0.498728 1 W W11 1 0.250505 0.624941 0.500387 1 W W12 1 0.334119 0.749960 0.501696 1 W W13 1 0.417083 0.874973 0.500791 1 W W14 1 -0.000259 -0.000256 0.499536 1 W W15 1 0.083347 0.125242 0.498324 1 W W16 1 0.166499 0.250138 0.497936 1 W W17 1 0.250130 0.375177 0.498089 1 W W18 1 0.333403 0.499836 0.498823 1 W W19 1 0.417048 0.624825 0.499973 1 W W20 1 0.500568 0.749859 0.500313 1 W W21 1 0.583335 0.875078 0.500232 1 W W22 1 0.166955 -0.000232 0.499567 1 W W23 1 0.250248 0.125154 0.498408 1 W W24 1 0.333280 0.250176 0.498151 1 W W25 1 0.416540 0.374955 0.498299 1 W W26 1 0.500246 0.499869 0.498882 1 W W27 1 0.583312 0.624750 0.499629 1 W W28 1 0.666095 0.749855 0.500334 1 W W29 1 0.749618 0.874969 0.500784 1 W W30 1 0.333408 0.000434 0.499799 1 W W31 1 0.416579 0.124984 0.498742 1 W W32 1 0.500163 0.249960 0.498352 1 W W33 1 0.583319 0.374921 0.498428 1 W W34 1 0.666403 0.499859 0.498906 1 W W35 1 0.749598 0.624806 0.500048 1 W W36 1 0.832527 0.749946 0.501766 1 W W37 1 0.916288 0.874129 0.502431 1 W W38 1 0.500191 -0.000075 0.499677 1 W W39 1 0.583338 0.125060 0.498819 1 W W40 1 0.666510 0.249946 0.498355 1 W W41 1 0.750120 0.374947 0.498325 1 W W42 1 0.833217 0.499814 0.498889 1 W W43 1 0.916114 0.624906 0.500506 1 W W44 1 0.666491 -0.000083 0.499659 1 W W45 1 0.750109 0.124983 0.498724 1 W W46 1 0.833383 0.250160 0.498158 1 W W47 1 0.916533 0.375159 0.498116 1 W W48 1 0.833298 0.000409 0.499759 1 W W49 1 0.916436 0.125121 0.498394 1 S S50 1 0.166589 0.914781 0.391125 1 S S51 1 0.083303 0.542335 0.388386 1 S S52 1 0.166777 0.668344 0.391309 1 S S53 1 0.250585 0.792132 0.390010 1 S S54 1 0.332957 0.916222 0.390622 1 S S55 1 0.083336 0.291966 0.387094 1 S S56 1 0.166750 0.417134 0.387526 1 S S57 1 0.250215 0.542303 0.388378 1 S S58 1 0.333875 0.666990 0.389854 1 S S59 1 0.417004 0.791609 0.390189 1 S S60 1 0.499860 0.916434 0.389310 1 S S61 1 0.083351 0.041325 0.388625 1 S S62 1 0.166823 0.166568 0.387488 1 S S63 1 0.249943 0.291804 0.387348 1 S S64 1 0.333419 0.416914 0.387478 1 S S65 1 0.416865 0.541795 0.388518 1 S S66 1 0.500085 0.666727 0.389076 1 S S67 1 0.583344 0.791789 0.389278 1 S S68 1 0.666820 0.916418 0.389306 1 S S69 1 0.250150 0.041342 0.388506 1 S S70 1 0.333519 0.166722 0.387624 1 S S71 1 0.416810 0.291625 0.387558 1 S S72 1 0.499972 0.416713 0.387815 1 S S73 1 0.583334 0.541811 0.388175 1 S S74 1 0.666577 0.666707 0.389118 1 S S75 1 0.749676 0.791583 0.390202 1 S S76 1 0.833700 0.916204 0.390556 1 S S77 1 0.416886 0.041284 0.388636 1 S S78 1 0.499941 0.166442 0.387927 1 S S79 1 0.583338 0.291698 0.387556 1 S S80 1 0.666688 0.416701 0.387840 1 S S81 1 0.749787 0.541795 0.388564 1 S S82 1 0.832775 0.666965 0.389941 1 S S83 1 0.916103 0.792036 0.390109 1 S S84 1 0.000228 0.914700 0.391274 1 S S85 1 0.583337 0.041439 0.388589 1 S S86 1 0.666730 0.166434 0.387918 1 S S87 1 0.749857 0.291627 0.387578 1 S S88 1 0.833240 0.416907 0.387519 1 S S89 1 0.916412 0.542280 0.388467 1 S S90 1 -0.000205 0.668271 0.391297 1 S S91 1 0.749797 0.041278 0.388622 1 S S92 1 0.833177 0.166715 0.387616 1 S S93 1 0.916719 0.291796 0.387360 1 S S94 1 -0.000109 0.417140 0.387547 1 S S95 1 0.916559 0.041316 0.388463 1 S S96 1 -0.000142 0.166560 0.387498 1 S S97 1 0.083368 0.791796 0.610585 1 S S98 1 0.167302 0.918057 0.613470 1 S S99 1 0.083340 0.541079 0.609917 1 S S100 1 0.167116 0.665358 0.612535 1 S S101 1 0.253714 0.792784 0.616592 1 S S102 1 0.334036 0.917493 0.611425 1 S S103 1 0.083335 0.291933 0.608716 1 S S104 1 0.166712 0.416639 0.608871 1 S S105 1 0.250300 0.541100 0.610049 1 S S106 1 0.334239 0.666160 0.611408 1 S S107 1 0.418014 0.791558 0.611634 1 S S108 1 0.500256 0.916927 0.611143 1 S S109 1 0.083343 0.042274 0.609456 1 S S110 1 0.166728 0.166931 0.608864 1 S S111 1 0.249795 0.291786 0.608711 1 S S112 1 0.333328 0.416464 0.609247 1 S S113 1 0.416895 0.541072 0.609922 1 S S114 1 0.500325 0.666286 0.610797 1 S S115 1 0.583330 0.791804 0.611224 1 S S116 1 0.666432 0.916923 0.611123 1 S S117 1 0.249999 0.042333 0.609910 1 S S118 1 0.333310 0.167054 0.609188 1 S S119 1 0.416693 0.291608 0.608943 1 S S120 1 0.499900 0.416359 0.609235 1 S S121 1 0.583315 0.541289 0.610044 1 S S122 1 0.666297 0.666280 0.610819 1 S S123 1 0.748640 0.791569 0.611655 1 S S124 1 0.832660 0.917496 0.611412 1 S S125 1 0.416931 0.042041 0.610155 1 S S126 1 0.499903 0.166767 0.609324 1 S S127 1 0.583336 0.291662 0.609189 1 S S128 1 0.666735 0.416344 0.609249 1 S S129 1 0.749725 0.541054 0.609993 1 S S130 1 0.832391 0.666148 0.611497 1 S S131 1 0.912932 0.792825 0.616587 1 S S132 1 -0.000510 0.917976 0.613272 1 S S133 1 0.583352 0.042048 0.610128 1 S S134 1 0.666781 0.166757 0.609323 1 S S135 1 0.749970 0.291592 0.608961 1 S S136 1 0.833328 0.416433 0.609291 1 S S137 1 0.916325 0.541049 0.610129 1 S S138 1 -0.000456 0.665230 0.612730 1 S S139 1 0.749768 0.042030 0.610113 1 S S140 1 0.833381 0.167033 0.609180 1 S S141 1 0.916871 0.291762 0.608725 1 S S142 1 -0.000052 0.416624 0.608907 1 S S143 1 0.916699 0.042289 0.609888 1 S S144 1 -0.000053 0.166922 0.608856 1