# generated using pymatgen data_AsW48S95 _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 AsW48S95 _chemical_formula_sum 'As1 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 As As1 1 0.083333 0.791725 0.371281 1 W W2 1 0.000509 0.750089 0.500718 1 W W3 1 0.083333 0.874670 0.500588 1 W W4 1 -0.000057 0.499788 0.500066 1 W W5 1 0.083333 0.625059 0.500537 1 W W6 1 0.166158 0.750089 0.500718 1 W W7 1 0.250032 0.875057 0.500499 1 W W8 1 -0.000029 0.250040 0.499971 1 W W9 1 0.083333 0.375034 0.499928 1 W W10 1 0.166724 0.499788 0.500066 1 W W11 1 0.250139 0.624763 0.500448 1 W W12 1 0.333640 0.750012 0.500433 1 W W13 1 0.416869 0.875044 0.500047 1 W W14 1 -0.000121 0.000235 0.500451 1 W W15 1 0.083333 0.125242 0.500163 1 W W16 1 0.166695 0.250040 0.499971 1 W W17 1 0.249966 0.374966 0.499962 1 W W18 1 0.333414 0.499905 0.500007 1 W W19 1 0.416850 0.624847 0.500153 1 W W20 1 0.500065 0.749984 0.499977 1 W W21 1 0.583333 0.875117 0.499949 1 W W22 1 0.166788 0.000235 0.500451 1 W W23 1 0.250067 0.125123 0.500016 1 W W24 1 0.333392 0.250082 0.499948 1 W W25 1 0.416731 0.374915 0.499957 1 W W26 1 0.499998 0.499898 0.499972 1 W W27 1 0.583333 0.624959 0.499962 1 W W28 1 0.666602 0.749984 0.499977 1 W W29 1 0.749797 0.875044 0.500047 1 W W30 1 0.333510 0.000169 0.500063 1 W W31 1 0.416744 0.125016 0.499967 1 W W32 1 0.499974 0.249998 0.499972 1 W W33 1 0.583333 0.374978 0.499977 1 W W34 1 0.666668 0.499898 0.499972 1 W W35 1 0.749817 0.624847 0.500153 1 W W36 1 0.833026 0.750012 0.500433 1 W W37 1 0.916634 0.875057 0.500499 1 W W38 1 0.500001 0.000045 0.499927 1 W W39 1 0.583333 0.125074 0.499970 1 W W40 1 0.666692 0.249998 0.499972 1 W W41 1 0.749936 0.374915 0.499957 1 W W42 1 0.833252 0.499905 0.500007 1 W W43 1 0.916527 0.624763 0.500448 1 W W44 1 0.666666 0.000045 0.499927 1 W W45 1 0.749923 0.125016 0.499968 1 W W46 1 0.833275 0.250082 0.499948 1 W W47 1 0.916700 0.374966 0.499962 1 W W48 1 0.833156 0.000169 0.500063 1 W W49 1 0.916600 0.125123 0.500016 1 S S50 1 0.166560 0.916686 0.389959 1 S S51 1 0.083333 0.541845 0.389507 1 S S52 1 0.166707 0.666737 0.389949 1 S S53 1 0.249859 0.791560 0.390065 1 S S54 1 0.333200 0.916610 0.389456 1 S S55 1 0.083333 0.291703 0.389158 1 S S56 1 0.166657 0.416587 0.389059 1 S S57 1 0.250002 0.541554 0.389302 1 S S58 1 0.333384 0.666630 0.389627 1 S S59 1 0.416732 0.791709 0.389261 1 S S60 1 0.500027 0.916762 0.389068 1 S S61 1 0.083333 0.041758 0.389624 1 S S62 1 0.166664 0.166731 0.389187 1 S S63 1 0.250031 0.291655 0.389118 1 S S64 1 0.333374 0.416599 0.389172 1 S S65 1 0.416727 0.541602 0.389166 1 S S66 1 0.499999 0.666599 0.389170 1 S S67 1 0.583333 0.791687 0.389142 1 S S68 1 0.666640 0.916762 0.389068 1 S S69 1 0.250083 0.041728 0.389321 1 S S70 1 0.333390 0.166735 0.389169 1 S S71 1 0.416705 0.291656 0.389084 1 S S72 1 0.500019 0.416589 0.389113 1 S S73 1 0.583333 0.541583 0.389177 1 S S74 1 0.666667 0.666599 0.389170 1 S S75 1 0.749935 0.791709 0.389261 1 S S76 1 0.833467 0.916610 0.389456 1 S S77 1 0.416748 0.041736 0.389072 1 S S78 1 0.500037 0.166711 0.389126 1 S S79 1 0.583333 0.291642 0.389185 1 S S80 1 0.666648 0.416589 0.389113 1 S S81 1 0.749940 0.541602 0.389166 1 S S82 1 0.833283 0.666630 0.389627 1 S S83 1 0.916807 0.791560 0.390065 1 S S84 1 0.000107 0.916686 0.389959 1 S S85 1 0.583333 0.041722 0.389145 1 S S86 1 0.666630 0.166711 0.389126 1 S S87 1 0.749962 0.291656 0.389084 1 S S88 1 0.833292 0.416599 0.389172 1 S S89 1 0.916665 0.541554 0.389302 1 S S90 1 -0.000041 0.666737 0.389949 1 S S91 1 0.749919 0.041736 0.389072 1 S S92 1 0.833277 0.166735 0.389169 1 S S93 1 0.916636 0.291655 0.389118 1 S S94 1 0.000010 0.416587 0.389059 1 S S95 1 0.916584 0.041728 0.389321 1 S S96 1 0.000003 0.166731 0.389187 1 S S97 1 0.083333 0.791710 0.610811 1 S S98 1 0.166890 0.916927 0.611377 1 S S99 1 0.083333 0.541513 0.610878 1 S S100 1 0.166866 0.666354 0.611454 1 S S101 1 0.250310 0.791672 0.611328 1 S S102 1 0.333506 0.916762 0.610893 1 S S103 1 0.083333 0.291711 0.610754 1 S S104 1 0.166679 0.416540 0.610885 1 S S105 1 0.250037 0.541291 0.610974 1 S S106 1 0.333612 0.666517 0.610989 1 S S107 1 0.417013 0.791818 0.610985 1 S S108 1 0.500085 0.916772 0.610860 1 S S109 1 0.083333 0.041971 0.611017 1 S S110 1 0.166742 0.166801 0.610901 1 S S111 1 0.250036 0.291664 0.610813 1 S S112 1 0.333379 0.416571 0.610758 1 S S113 1 0.416759 0.541516 0.610907 1 S S114 1 0.500099 0.666626 0.610865 1 S S115 1 0.583333 0.791706 0.610737 1 S S116 1 0.666581 0.916772 0.610860 1 S S117 1 0.250330 0.041882 0.610961 1 S S118 1 0.333417 0.166757 0.610764 1 S S119 1 0.416699 0.291662 0.610858 1 S S120 1 0.500020 0.416585 0.610830 1 S S121 1 0.583333 0.541586 0.610765 1 S S122 1 0.666568 0.666626 0.610865 1 S S123 1 0.749653 0.791818 0.610985 1 S S124 1 0.833161 0.916762 0.610893 1 S S125 1 0.416792 0.041767 0.610879 1 S S126 1 0.500038 0.166706 0.610833 1 S S127 1 0.583333 0.291643 0.610783 1 S S128 1 0.666647 0.416585 0.610830 1 S S129 1 0.749907 0.541516 0.610907 1 S S130 1 0.833054 0.666517 0.610989 1 S S131 1 0.916356 0.791672 0.611327 1 S S132 1 -0.000223 0.916927 0.611377 1 S S133 1 0.583333 0.041712 0.610740 1 S S134 1 0.666629 0.166706 0.610833 1 S S135 1 0.749968 0.291662 0.610858 1 S S136 1 0.833288 0.416571 0.610758 1 S S137 1 0.916630 0.541291 0.610974 1 S S138 1 -0.000199 0.666354 0.611454 1 S S139 1 0.749875 0.041767 0.610879 1 S S140 1 0.833250 0.166757 0.610764 1 S S141 1 0.916631 0.291664 0.610813 1 S S142 1 -0.000013 0.416540 0.610885 1 S S143 1 0.916337 0.041882 0.610961 1 S S144 1 -0.000075 0.166801 0.610901 1