# generated using pymatgen data_SnW48S95 _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 SnW48S95 _chemical_formula_sum 'Sn1 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 Sn Sn1 1 0.083333 0.791645 0.334867 1 W W2 1 0.000980 0.750491 0.504068 1 W W3 1 0.083333 0.874041 0.504044 1 W W4 1 -0.000010 0.500138 0.500294 1 W W5 1 0.083333 0.625744 0.501646 1 W W6 1 0.165687 0.750491 0.504068 1 W W7 1 0.249248 0.874649 0.501633 1 W W8 1 -0.000008 0.249996 0.499899 1 W W9 1 0.083333 0.375068 0.499950 1 W W10 1 0.166677 0.500138 0.500294 1 W W11 1 0.249752 0.625250 0.500745 1 W W12 1 0.332937 0.750036 0.500732 1 W W13 1 0.416523 0.874937 0.500246 1 W W14 1 0.000153 -0.000288 0.500744 1 W W15 1 0.083333 0.124955 0.500059 1 W W16 1 0.166674 0.249996 0.499899 1 W W17 1 0.249989 0.375042 0.499894 1 W W18 1 0.333239 0.500100 0.499951 1 W W19 1 0.416598 0.625008 0.500033 1 W W20 1 0.499872 0.750009 0.499872 1 W W21 1 0.583333 0.875012 0.499833 1 W W22 1 0.166514 -0.000288 0.500744 1 W W23 1 0.249936 0.124886 0.499959 1 W W24 1 0.333327 0.249983 0.499885 1 W W25 1 0.416655 0.375011 0.499909 1 W W26 1 0.499977 0.499975 0.499927 1 W W27 1 0.583333 0.624994 0.499887 1 W W28 1 0.666794 0.750009 0.499872 1 W W29 1 0.750144 0.874937 0.500246 1 W W30 1 0.333177 -0.000041 0.500288 1 W W31 1 0.416640 0.124981 0.499915 1 W W32 1 0.500001 0.249999 0.499945 1 W W33 1 0.583333 0.374974 0.499953 1 W W34 1 0.666690 0.499975 0.499927 1 W W35 1 0.750069 0.625008 0.500033 1 W W36 1 0.833729 0.750036 0.500732 1 W W37 1 0.917418 0.874649 0.501633 1 W W38 1 0.499945 -0.000004 0.499917 1 W W39 1 0.583333 0.125018 0.499904 1 W W40 1 0.666666 0.249999 0.499945 1 W W41 1 0.750012 0.375011 0.499909 1 W W42 1 0.833428 0.500100 0.499951 1 W W43 1 0.916915 0.625250 0.500745 1 W W44 1 0.666722 -0.000004 0.499917 1 W W45 1 0.750026 0.124981 0.499915 1 W W46 1 0.833340 0.249983 0.499885 1 W W47 1 0.916678 0.375042 0.499894 1 W W48 1 0.833489 -0.000041 0.500288 1 W W49 1 0.916731 0.124886 0.499959 1 S S50 1 0.165704 0.914974 0.390933 1 S S51 1 0.083333 0.542413 0.390249 1 S S52 1 0.165430 0.668237 0.390948 1 S S53 1 0.247791 0.791819 0.390951 1 S S54 1 0.332565 0.916319 0.390220 1 S S55 1 0.083333 0.291704 0.389198 1 S S56 1 0.166629 0.416881 0.389291 1 S S57 1 0.249706 0.542087 0.389535 1 S S58 1 0.332945 0.666829 0.389798 1 S S59 1 0.416078 0.791662 0.389520 1 S S60 1 0.499778 0.916615 0.389262 1 S S61 1 0.083333 0.041325 0.389810 1 S S62 1 0.166644 0.166576 0.389225 1 S S63 1 0.250003 0.291677 0.389157 1 S S64 1 0.333303 0.416750 0.389180 1 S S65 1 0.416592 0.541697 0.389219 1 S S66 1 0.499894 0.666662 0.389198 1 S S67 1 0.583333 0.791651 0.389148 1 S S68 1 0.666888 0.916615 0.389262 1 S S69 1 0.249698 0.041250 0.389535 1 S S70 1 0.333273 0.166585 0.389182 1 S S71 1 0.416678 0.291659 0.389174 1 S S72 1 0.500006 0.416635 0.389179 1 S S73 1 0.583333 0.541627 0.389199 1 S S74 1 0.666773 0.666662 0.389198 1 S S75 1 0.750589 0.791662 0.389520 1 S S76 1 0.834101 0.916319 0.390220 1 S S77 1 0.416464 0.041556 0.389289 1 S S78 1 0.499985 0.166670 0.389173 1 S S79 1 0.583333 0.291648 0.389189 1 S S80 1 0.666661 0.416635 0.389179 1 S S81 1 0.750075 0.541697 0.389219 1 S S82 1 0.833722 0.666829 0.389798 1 S S83 1 0.918876 0.791819 0.390951 1 S S84 1 0.000963 0.914974 0.390933 1 S S85 1 0.583333 0.041663 0.389186 1 S S86 1 0.666682 0.166670 0.389173 1 S S87 1 0.749988 0.291659 0.389174 1 S S88 1 0.833363 0.416750 0.389180 1 S S89 1 0.916961 0.542087 0.389535 1 S S90 1 0.001237 0.668237 0.390948 1 S S91 1 0.750203 0.041556 0.389289 1 S S92 1 0.833394 0.166585 0.389182 1 S S93 1 0.916663 0.291677 0.389157 1 S S94 1 0.000037 0.416881 0.389291 1 S S95 1 0.916968 0.041250 0.389535 1 S S96 1 0.000023 0.166576 0.389225 1 S S97 1 0.083333 0.791675 0.614103 1 S S98 1 0.166610 0.916963 0.613026 1 S S99 1 0.083333 0.541573 0.611233 1 S S100 1 0.166966 0.666556 0.613036 1 S S101 1 0.250247 0.791491 0.613022 1 S S102 1 0.333412 0.916726 0.611214 1 S S103 1 0.083333 0.291676 0.610626 1 S S104 1 0.166694 0.416631 0.610744 1 S S105 1 0.250093 0.541661 0.611010 1 S S106 1 0.333416 0.666599 0.611043 1 S S107 1 0.416712 0.791588 0.610951 1 S S108 1 0.500052 0.916679 0.610679 1 S S109 1 0.083333 0.041776 0.611062 1 S S110 1 0.166687 0.166679 0.610696 1 S S111 1 0.250024 0.291679 0.610623 1 S S112 1 0.333329 0.416696 0.610617 1 S S113 1 0.416657 0.541634 0.610694 1 S S114 1 0.500004 0.666675 0.610639 1 S S115 1 0.583333 0.791655 0.610488 1 S S116 1 0.666615 0.916679 0.610679 1 S S117 1 0.249941 0.041745 0.611012 1 S S118 1 0.333307 0.166646 0.610621 1 S S119 1 0.416657 0.291664 0.610659 1 S S120 1 0.499992 0.416631 0.610685 1 S S121 1 0.583333 0.541640 0.610642 1 S S122 1 0.666662 0.666675 0.610639 1 S S123 1 0.749955 0.791588 0.610951 1 S S124 1 0.833255 0.916725 0.611214 1 S S125 1 0.416688 0.041711 0.610740 1 S S126 1 0.499988 0.166664 0.610665 1 S S127 1 0.583333 0.291646 0.610711 1 S S128 1 0.666675 0.416631 0.610685 1 S S129 1 0.750010 0.541634 0.610694 1 S S130 1 0.833251 0.666599 0.611043 1 S S131 1 0.916419 0.791491 0.613022 1 S S132 1 0.000057 0.916963 0.613026 1 S S133 1 0.583333 0.041678 0.610607 1 S S134 1 0.666679 0.166664 0.610665 1 S S135 1 0.750009 0.291664 0.610659 1 S S136 1 0.833338 0.416696 0.610617 1 S S137 1 0.916573 0.541661 0.611010 1 S S138 1 -0.000300 0.666556 0.613036 1 S S139 1 0.749978 0.041711 0.610740 1 S S140 1 0.833360 0.166646 0.610621 1 S S141 1 0.916643 0.291679 0.610623 1 S S142 1 -0.000028 0.416631 0.610744 1 S S143 1 0.916725 0.041745 0.611012 1 S S144 1 -0.000020 0.166679 0.610696 1