# 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 0.791654 0.345252 1 W W2 1 -0.000529 0.749741 0.501422 1 W W3 1 0.083333 0.875508 0.501417 1 W W4 1 0.000104 0.499423 0.500553 1 W W5 1 0.083333 0.624423 0.500747 1 W W6 1 0.167196 0.749741 0.501422 1 W W7 1 0.250510 0.875292 0.500722 1 W W8 1 -0.000032 0.249562 0.499857 1 W W9 1 0.083333 0.374443 0.499943 1 W W10 1 0.166563 0.499423 0.500553 1 W W11 1 0.249721 0.624644 0.501360 1 W W12 1 0.333526 0.750447 0.501327 1 W W13 1 0.416972 0.875441 0.500479 1 W W14 1 -0.000479 -0.000100 0.501374 1 W W15 1 0.083333 0.124622 0.500477 1 W W16 1 0.166698 0.249562 0.499857 1 W W17 1 0.249969 0.374639 0.499892 1 W W18 1 0.333145 0.499857 0.500197 1 W W19 1 0.416506 0.625197 0.500441 1 W W20 1 0.500014 0.750404 0.500115 1 W W21 1 0.583333 0.875405 0.499944 1 W W22 1 0.167146 -0.000100 0.501374 1 W W23 1 0.250215 0.124798 0.500204 1 W W24 1 0.333400 0.249834 0.499812 1 W W25 1 0.416619 0.374975 0.499822 1 W W26 1 0.499921 0.500132 0.499870 1 W W27 1 0.583333 0.625277 0.499900 1 W W28 1 0.666653 0.750404 0.500115 1 W W29 1 0.749695 0.875441 0.500479 1 W W30 1 0.333788 0.000187 0.500549 1 W W31 1 0.416843 0.125113 0.499927 1 W W32 1 0.500043 0.250110 0.499827 1 W W33 1 0.583333 0.375100 0.499819 1 W W34 1 0.666746 0.500132 0.499870 1 W W35 1 0.750161 0.625197 0.500441 1 W W36 1 0.833141 0.750447 0.501327 1 W W37 1 0.916156 0.875292 0.500722 1 W W38 1 0.500171 0.000339 0.499917 1 W W39 1 0.583333 0.125246 0.499798 1 W W40 1 0.666624 0.250110 0.499827 1 W W41 1 0.750048 0.374975 0.499822 1 W W42 1 0.833522 0.499857 0.500197 1 W W43 1 0.916946 0.624644 0.501360 1 W W44 1 0.666496 0.000339 0.499917 1 W W45 1 0.749824 0.125113 0.499927 1 W W46 1 0.833267 0.249834 0.499812 1 W W47 1 0.916697 0.374639 0.499892 1 W W48 1 0.832879 0.000187 0.500549 1 W W49 1 0.916452 0.124798 0.500204 1 S S50 1 0.166341 0.915930 0.390159 1 S S51 1 0.083333 0.541349 0.389944 1 S S52 1 0.166103 0.667227 0.390200 1 S S53 1 0.249143 0.791816 0.390146 1 S S54 1 0.333483 0.916852 0.389852 1 S S55 1 0.083333 0.291181 0.389123 1 S S56 1 0.166598 0.416394 0.389343 1 S S57 1 0.249556 0.541730 0.389906 1 S S58 1 0.332667 0.667034 0.390639 1 S S59 1 0.416299 0.792043 0.389820 1 S S60 1 0.499980 0.916932 0.389251 1 S S61 1 0.083333 0.040884 0.390606 1 S S62 1 0.166626 0.166052 0.389456 1 S S63 1 0.249973 0.291350 0.389110 1 S S64 1 0.333178 0.416664 0.389251 1 S S65 1 0.416335 0.541932 0.389543 1 S S66 1 0.499713 0.666964 0.389491 1 S S67 1 0.583333 0.791966 0.389285 1 S S68 1 0.666687 0.916932 0.389251 1 S S69 1 0.250061 0.041220 0.389864 1 S S70 1 0.333334 0.166450 0.389203 1 S S71 1 0.416648 0.291657 0.389115 1 S S72 1 0.499937 0.416803 0.389175 1 S S73 1 0.583333 0.541896 0.389229 1 S S74 1 0.666954 0.666964 0.389491 1 S S75 1 0.750368 0.792043 0.389820 1 S S76 1 0.833184 0.916852 0.389852 1 S S77 1 0.416696 0.041766 0.389281 1 S S78 1 0.500006 0.166818 0.389084 1 S S79 1 0.583333 0.291799 0.389125 1 S S80 1 0.666730 0.416803 0.389175 1 S S81 1 0.750331 0.541932 0.389543 1 S S82 1 0.834000 0.667034 0.390639 1 S S83 1 0.917524 0.791816 0.390146 1 S S84 1 0.000325 0.915930 0.390159 1 S S85 1 0.583333 0.041928 0.389014 1 S S86 1 0.666661 0.166818 0.389084 1 S S87 1 0.750018 0.291657 0.389115 1 S S88 1 0.833488 0.416664 0.389251 1 S S89 1 0.917111 0.541730 0.389905 1 S S90 1 0.000564 0.667227 0.390200 1 S S91 1 0.749971 0.041766 0.389281 1 S S92 1 0.833333 0.166450 0.389203 1 S S93 1 0.916694 0.291350 0.389110 1 S S94 1 0.000068 0.416394 0.389343 1 S S95 1 0.916606 0.041220 0.389864 1 S S96 1 0.000041 0.166052 0.389456 1 S S97 1 0.083333 0.791651 0.609115 1 S S98 1 0.167527 0.916695 0.611883 1 S S99 1 0.083333 0.541103 0.611491 1 S S100 1 0.166298 0.665959 0.611850 1 S S101 1 0.250499 0.792303 0.611849 1 S S102 1 0.333757 0.916948 0.611525 1 S S103 1 0.083333 0.291136 0.610542 1 S S104 1 0.166626 0.416008 0.610832 1 S S105 1 0.249892 0.541167 0.611387 1 S S106 1 0.333323 0.666724 0.611442 1 S S107 1 0.417050 0.792090 0.611331 1 S S108 1 0.500281 0.917115 0.610857 1 S S109 1 0.083333 0.041523 0.611516 1 S S110 1 0.166767 0.166402 0.610843 1 S S111 1 0.250011 0.291326 0.610518 1 S S112 1 0.333269 0.416440 0.610638 1 S S113 1 0.416590 0.541682 0.610748 1 S S114 1 0.500049 0.666944 0.610703 1 S S115 1 0.583333 0.792040 0.610708 1 S S116 1 0.666386 0.917115 0.610857 1 S S117 1 0.250471 0.041763 0.611460 1 S S118 1 0.333502 0.166647 0.610712 1 S S119 1 0.416648 0.291662 0.610521 1 S S120 1 0.499953 0.416764 0.610484 1 S S121 1 0.583333 0.541855 0.610433 1 S S122 1 0.666617 0.666944 0.610703 1 S S123 1 0.749616 0.792090 0.611331 1 S S124 1 0.832909 0.916948 0.611525 1 S S125 1 0.417077 0.041950 0.610920 1 S S126 1 0.500080 0.166851 0.610614 1 S S127 1 0.583333 0.291810 0.610580 1 S S128 1 0.666713 0.416764 0.610484 1 S S129 1 0.750077 0.541682 0.610748 1 S S130 1 0.833344 0.666724 0.611442 1 S S131 1 0.916168 0.792303 0.611849 1 S S132 1 -0.000861 0.916695 0.611883 1 S S133 1 0.583333 0.042018 0.610642 1 S S134 1 0.666586 0.166851 0.610614 1 S S135 1 0.750018 0.291662 0.610521 1 S S136 1 0.833397 0.416440 0.610638 1 S S137 1 0.916775 0.541167 0.611387 1 S S138 1 0.000369 0.665959 0.611850 1 S S139 1 0.749590 0.041950 0.610920 1 S S140 1 0.833165 0.166647 0.610712 1 S S141 1 0.916655 0.291326 0.610518 1 S S142 1 0.000041 0.416008 0.610832 1 S S143 1 0.916196 0.041763 0.611460 1 S S144 1 -0.000100 0.166402 0.610843 1