# generated using pymatgen data_VW48S95 _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 VW48S95 _chemical_formula_sum 'V1 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 V V1 1 0.064323 0.801282 0.380038 1 W W2 1 0.000605 0.750924 0.517203 1 W W3 1 0.082661 0.874054 0.517402 1 W W4 1 0.000307 0.500016 0.500603 1 W W5 1 0.083916 0.625210 0.506132 1 W W6 1 0.162302 0.752166 0.508347 1 W W7 1 0.250084 0.874380 0.506450 1 W W8 1 0.000271 0.249683 0.497289 1 W W9 1 0.083538 0.374860 0.498047 1 W W10 1 0.166774 0.500049 0.500055 1 W W11 1 0.249130 0.625987 0.501607 1 W W12 1 0.331942 0.750110 0.501862 1 W W13 1 0.416693 0.874806 0.500786 1 W W14 1 0.000796 -0.001491 0.503270 1 W W15 1 0.083523 0.124335 0.499490 1 W W16 1 0.166794 0.249660 0.497535 1 W W17 1 0.250062 0.374937 0.497220 1 W W18 1 0.333032 0.500394 0.497792 1 W W19 1 0.416275 0.625247 0.498558 1 W W20 1 0.499661 0.749998 0.498969 1 W W21 1 0.583503 0.874844 0.499139 1 W W22 1 0.166579 -0.001036 0.504166 1 W W23 1 0.250082 0.124488 0.498959 1 W W24 1 0.333396 0.249804 0.496581 1 W W25 1 0.416640 0.375120 0.495832 1 W W26 1 0.499929 0.500193 0.496366 1 W W27 1 0.583410 0.625139 0.497659 1 W W28 1 0.667091 0.749950 0.499148 1 W W29 1 0.750344 0.874767 0.501224 1 W W30 1 0.333473 -0.000296 0.501111 1 W W31 1 0.416829 0.124807 0.497550 1 W W32 1 0.500128 0.249994 0.495517 1 W W33 1 0.583459 0.375124 0.495142 1 W W34 1 0.666914 0.500200 0.496538 1 W W35 1 0.750566 0.625256 0.499306 1 W W36 1 0.835104 0.750169 0.503316 1 W W37 1 0.916757 0.874926 0.508479 1 W W38 1 0.500212 -0.000190 0.498750 1 W W39 1 0.583586 0.124920 0.496655 1 W W40 1 0.666910 0.250006 0.495285 1 W W41 1 0.750291 0.375093 0.495737 1 W W42 1 0.833809 0.500235 0.498316 1 W W43 1 0.917572 0.625565 0.503859 1 W W44 1 0.667010 -0.000175 0.498621 1 W W45 1 0.750333 0.124867 0.497019 1 W W46 1 0.833676 0.249824 0.496113 1 W W47 1 0.916953 0.374942 0.497225 1 W W48 1 0.833781 -0.000187 0.500778 1 W W49 1 0.917147 0.124522 0.498185 1 S S50 1 0.163830 0.911940 0.398610 1 S S51 1 0.083392 0.543491 0.391753 1 S S52 1 0.163252 0.670673 0.394354 1 S S53 1 0.244379 0.792234 0.394545 1 S S54 1 0.331674 0.915636 0.392259 1 S S55 1 0.083602 0.291584 0.386831 1 S S56 1 0.166490 0.417418 0.387640 1 S S57 1 0.248792 0.543330 0.389121 1 S S58 1 0.331536 0.667653 0.389895 1 S S59 1 0.414816 0.791687 0.389812 1 S S60 1 0.499571 0.916099 0.388767 1 S S61 1 0.083849 0.039356 0.391593 1 S S62 1 0.166625 0.165522 0.387932 1 S S63 1 0.249740 0.291493 0.386329 1 S S64 1 0.332756 0.417329 0.386219 1 S S65 1 0.415918 0.542451 0.386787 1 S S66 1 0.499485 0.667104 0.387604 1 S S67 1 0.583479 0.791576 0.388389 1 S S68 1 0.667628 0.915971 0.388882 1 S S69 1 0.248930 0.039667 0.390745 1 S S70 1 0.332903 0.165737 0.386949 1 S S71 1 0.416332 0.291565 0.385201 1 S S72 1 0.499778 0.417100 0.384958 1 S S73 1 0.583472 0.542257 0.386103 1 S S74 1 0.667591 0.667042 0.387906 1 S S75 1 0.752466 0.791463 0.390573 1 S S76 1 0.835482 0.915430 0.392888 1 S S77 1 0.416072 0.040650 0.388382 1 S S78 1 0.499868 0.166031 0.385802 1 S S79 1 0.583431 0.291614 0.384472 1 S S80 1 0.667117 0.417172 0.384985 1 S S81 1 0.751083 0.542546 0.387322 1 S S82 1 0.835717 0.667570 0.391439 1 S S83 1 0.924565 0.792857 0.396114 1 S S84 1 0.002790 0.910056 0.396166 1 S S85 1 0.583567 0.040848 0.387289 1 S S86 1 0.667083 0.166069 0.385509 1 S S87 1 0.750626 0.291644 0.384894 1 S S88 1 0.834221 0.417434 0.386331 1 S S89 1 0.918103 0.543529 0.390252 1 S S90 1 0.003220 0.671145 0.398312 1 S S91 1 0.751084 0.040604 0.388018 1 S S92 1 0.834206 0.165810 0.386318 1 S S93 1 0.917376 0.291636 0.386067 1 S S94 1 0.000543 0.417559 0.387837 1 S S95 1 0.918379 0.039534 0.390098 1 S S96 1 0.000741 0.165605 0.387496 1 S S97 1 0.083455 0.791515 0.627658 1 S S98 1 0.170265 0.918102 0.620495 1 S S99 1 0.083860 0.539829 0.612921 1 S S100 1 0.167238 0.666523 0.615857 1 S S101 1 0.250322 0.791159 0.616042 1 S S102 1 0.335277 0.917128 0.613418 1 S S103 1 0.083473 0.291271 0.608243 1 S S104 1 0.167156 0.415820 0.609104 1 S S105 1 0.250534 0.541459 0.610336 1 S S106 1 0.333732 0.666342 0.611095 1 S S107 1 0.416899 0.791248 0.611003 1 S S108 1 0.500714 0.916807 0.610220 1 S S109 1 0.083286 0.042189 0.612818 1 S S110 1 0.166951 0.166841 0.609280 1 S S111 1 0.250426 0.291475 0.607709 1 S S112 1 0.333764 0.416467 0.607500 1 S S113 1 0.416972 0.541384 0.608166 1 S S114 1 0.500127 0.666362 0.608965 1 S S115 1 0.583312 0.791397 0.609580 1 S S116 1 0.666192 0.916896 0.610279 1 S S117 1 0.250833 0.042389 0.611912 1 S S118 1 0.333880 0.167002 0.608286 1 S S119 1 0.417070 0.291771 0.606480 1 S S120 1 0.500251 0.416498 0.606298 1 S S121 1 0.583347 0.541344 0.607409 1 S S122 1 0.666418 0.666369 0.609276 1 S S123 1 0.749466 0.791141 0.611486 1 S S124 1 0.831130 0.917893 0.614210 1 S S125 1 0.417612 0.042277 0.609800 1 S S126 1 0.500474 0.167159 0.607139 1 S S127 1 0.583565 0.291827 0.605791 1 S S128 1 0.666651 0.416423 0.606294 1 S S129 1 0.749735 0.541224 0.608636 1 S S130 1 0.832716 0.666335 0.612609 1 S S131 1 0.913353 0.792570 0.620963 1 S S132 1 -0.002681 0.918698 0.621052 1 S S133 1 0.583658 0.042208 0.608608 1 S S134 1 0.666817 0.167177 0.606863 1 S S135 1 0.750012 0.291668 0.606194 1 S S136 1 0.833110 0.416170 0.607647 1 S S137 1 0.916260 0.540581 0.611414 1 S S138 1 0.000293 0.663130 0.620214 1 S S139 1 0.749675 0.042492 0.609399 1 S S140 1 0.833351 0.166956 0.607633 1 S S141 1 0.916563 0.291384 0.607449 1 S S142 1 -0.000046 0.415646 0.609295 1 S S143 1 0.916852 0.042441 0.611035 1 S S144 1 -0.000050 0.166843 0.608940 1