# generated using pymatgen data_MnW48S95 _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 MnW48S95 _chemical_formula_sum 'Mn1 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 Mn Mn1 1 0.083320 0.812883 0.358208 1 W W2 1 0.003399 0.750865 0.507615 1 W W3 1 0.083334 0.874298 0.514680 1 W W4 1 0.000236 0.500647 0.500590 1 W W5 1 0.083333 0.626680 0.504152 1 W W6 1 0.163268 0.750866 0.507613 1 W W7 1 0.248097 0.873893 0.505173 1 W W8 1 0.000110 0.249828 0.499062 1 W W9 1 0.083333 0.375324 0.499535 1 W W10 1 0.166430 0.500647 0.500590 1 W W11 1 0.249440 0.625707 0.501032 1 W W12 1 0.331953 0.749836 0.500785 1 W W13 1 0.416154 0.874436 0.500384 1 W W14 1 0.000411 -0.000882 0.502529 1 W W15 1 0.083333 0.124602 0.500179 1 W W16 1 0.166557 0.249828 0.499062 1 W W17 1 0.249911 0.375100 0.498826 1 W W18 1 0.333010 0.500536 0.498872 1 W W19 1 0.416179 0.625196 0.498846 1 W W20 1 0.499613 0.749778 0.498899 1 W W21 1 0.583334 0.874578 0.499191 1 W W22 1 0.166256 -0.000882 0.502529 1 W W23 1 0.249561 0.124436 0.499487 1 W W24 1 0.333082 0.249822 0.498195 1 W W25 1 0.416375 0.375030 0.497754 1 W W26 1 0.500030 0.500075 0.497782 1 W W27 1 0.583333 0.625168 0.498153 1 W W28 1 0.667054 0.749778 0.498899 1 W W29 1 0.750513 0.874436 0.500384 1 W W30 1 0.332575 -0.000603 0.500803 1 W W31 1 0.416370 0.124403 0.498521 1 W W32 1 0.499957 0.249614 0.497435 1 W W33 1 0.583333 0.375046 0.497262 1 W W34 1 0.666637 0.500075 0.497782 1 W W35 1 0.750487 0.625196 0.498845 1 W W36 1 0.834714 0.749836 0.500785 1 W W37 1 0.918571 0.873893 0.505174 1 W W38 1 0.499700 -0.000710 0.499221 1 W W39 1 0.583333 0.124482 0.498037 1 W W40 1 0.666710 0.249614 0.497435 1 W W41 1 0.750292 0.375031 0.497754 1 W W42 1 0.833656 0.500536 0.498872 1 W W43 1 0.917226 0.625707 0.501032 1 W W44 1 0.666967 -0.000710 0.499221 1 W W45 1 0.750297 0.124403 0.498521 1 W W46 1 0.833585 0.249822 0.498195 1 W W47 1 0.916756 0.375100 0.498827 1 W W48 1 0.834092 -0.000603 0.500803 1 W W49 1 0.917106 0.124436 0.499487 1 S S50 1 0.164079 0.912492 0.394796 1 S S51 1 0.083333 0.543774 0.391253 1 S S52 1 0.164132 0.669672 0.393294 1 S S53 1 0.244646 0.791875 0.393038 1 S S54 1 0.330949 0.915287 0.391736 1 S S55 1 0.083333 0.291833 0.388603 1 S S56 1 0.166366 0.417557 0.389089 1 S S57 1 0.248941 0.542850 0.389396 1 S S58 1 0.332035 0.667165 0.389255 1 S S59 1 0.415017 0.791498 0.389281 1 S S60 1 0.499241 0.915858 0.388809 1 S S61 1 0.083334 0.040411 0.390952 1 S S62 1 0.166351 0.166021 0.388767 1 S S63 1 0.249482 0.291652 0.387994 1 S S64 1 0.332720 0.417183 0.387868 1 S S65 1 0.416084 0.542063 0.387819 1 S S66 1 0.499483 0.666825 0.387829 1 S S67 1 0.583333 0.791451 0.388300 1 S S68 1 0.667426 0.915858 0.388809 1 S S69 1 0.248836 0.040176 0.390058 1 S S70 1 0.332675 0.165916 0.388124 1 S S71 1 0.416266 0.291429 0.387207 1 S S72 1 0.499690 0.416777 0.386978 1 S S73 1 0.583333 0.541981 0.387179 1 S S74 1 0.667183 0.666825 0.387829 1 S S75 1 0.751650 0.791497 0.389280 1 S S76 1 0.835718 0.915287 0.391736 1 S S77 1 0.415688 0.040422 0.388808 1 S S78 1 0.499647 0.165799 0.387343 1 S S79 1 0.583333 0.291398 0.386815 1 S S80 1 0.666976 0.416777 0.386978 1 S S81 1 0.750582 0.542063 0.387818 1 S S82 1 0.834632 0.667165 0.389255 1 S S83 1 0.922022 0.791875 0.393037 1 S S84 1 0.002588 0.912492 0.394795 1 S S85 1 0.583333 0.040595 0.388250 1 S S86 1 0.667020 0.165799 0.387343 1 S S87 1 0.750401 0.291429 0.387207 1 S S88 1 0.833946 0.417183 0.387868 1 S S89 1 0.917726 0.542850 0.389396 1 S S90 1 0.002534 0.669672 0.393294 1 S S91 1 0.750979 0.040422 0.388808 1 S S92 1 0.833992 0.165916 0.388123 1 S S93 1 0.917184 0.291652 0.387994 1 S S94 1 0.000301 0.417557 0.389089 1 S S95 1 0.917831 0.040176 0.390058 1 S S96 1 0.000315 0.166021 0.388767 1 S S97 1 0.083334 0.791179 0.622667 1 S S98 1 0.168097 0.917904 0.619200 1 S S99 1 0.083333 0.541587 0.612482 1 S S100 1 0.167512 0.666956 0.615564 1 S S101 1 0.249772 0.790294 0.615477 1 S S102 1 0.333839 0.916393 0.612456 1 S S103 1 0.083333 0.291626 0.609814 1 S S104 1 0.166891 0.416638 0.610248 1 S S105 1 0.250278 0.541857 0.610926 1 S S106 1 0.333569 0.666573 0.611051 1 S S107 1 0.416416 0.790951 0.610669 1 S S108 1 0.500127 0.916140 0.610312 1 S S109 1 0.083333 0.041957 0.612559 1 S S110 1 0.166768 0.166657 0.610358 1 S S111 1 0.250093 0.291586 0.609295 1 S S112 1 0.333505 0.416771 0.609018 1 S S113 1 0.416887 0.541662 0.609110 1 S S114 1 0.500006 0.666445 0.609309 1 S S115 1 0.583334 0.791185 0.609596 1 S S116 1 0.666540 0.916139 0.610312 1 S S117 1 0.249906 0.041850 0.611772 1 S S118 1 0.333369 0.166559 0.609216 1 S S119 1 0.416806 0.291518 0.608232 1 S S120 1 0.500026 0.416578 0.608124 1 S S121 1 0.583333 0.541667 0.608529 1 S S122 1 0.666661 0.666445 0.609309 1 S S123 1 0.750251 0.790950 0.610669 1 S S124 1 0.832827 0.916392 0.612456 1 S S125 1 0.416721 0.041444 0.610154 1 S S126 1 0.499987 0.166412 0.608490 1 S S127 1 0.583333 0.291539 0.607771 1 S S128 1 0.666641 0.416578 0.608124 1 S S129 1 0.749780 0.541662 0.609109 1 S S130 1 0.833097 0.666573 0.611050 1 S S131 1 0.916895 0.790294 0.615478 1 S S132 1 -0.001429 0.917904 0.619200 1 S S133 1 0.583333 0.041359 0.609275 1 S S134 1 0.666680 0.166413 0.608490 1 S S135 1 0.749861 0.291518 0.608232 1 S S136 1 0.833161 0.416771 0.609018 1 S S137 1 0.916389 0.541857 0.610926 1 S S138 1 -0.000845 0.666955 0.615565 1 S S139 1 0.749946 0.041444 0.610154 1 S S140 1 0.833297 0.166560 0.609216 1 S S141 1 0.916574 0.291586 0.609295 1 S S142 1 -0.000224 0.416638 0.610248 1 S S143 1 0.916761 0.041850 0.611772 1 S S144 1 -0.000101 0.166657 0.610358 1