# 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 0.791707 0.370825 1 W W2 1 0.000647 0.750205 0.500735 1 W W3 1 0.083333 0.874484 0.500648 1 W W4 1 -0.000083 0.499764 0.500054 1 W W5 1 0.083333 0.625072 0.500574 1 W W6 1 0.166020 0.750205 0.500735 1 W W7 1 0.249991 0.875022 0.500554 1 W W8 1 -0.000045 0.250060 0.499975 1 W W9 1 0.083333 0.375051 0.499926 1 W W10 1 0.166750 0.499764 0.500054 1 W W11 1 0.250195 0.624722 0.500411 1 W W12 1 0.333715 0.749982 0.500407 1 W W13 1 0.416921 0.875045 0.500035 1 W W14 1 -0.000157 0.000304 0.500422 1 W W15 1 0.083333 0.125293 0.500177 1 W W16 1 0.166712 0.250060 0.499975 1 W W17 1 0.249948 0.374980 0.499969 1 W W18 1 0.333461 0.499881 0.500002 1 W W19 1 0.416907 0.624823 0.500170 1 W W20 1 0.500077 0.749957 0.499977 1 W W21 1 0.583333 0.875120 0.499959 1 W W22 1 0.166823 0.000304 0.500422 1 W W23 1 0.250061 0.125166 0.500011 1 W W24 1 0.333410 0.250097 0.499949 1 W W25 1 0.416760 0.374904 0.499960 1 W W26 1 0.499989 0.499887 0.499977 1 W W27 1 0.583333 0.624937 0.499973 1 W W28 1 0.666590 0.749957 0.499977 1 W W29 1 0.749746 0.875045 0.500035 1 W W30 1 0.333542 0.000191 0.500054 1 W W31 1 0.416768 0.125012 0.499977 1 W W32 1 0.499953 0.250005 0.499976 1 W W33 1 0.583333 0.374964 0.499985 1 W W34 1 0.666678 0.499887 0.499977 1 W W35 1 0.749760 0.624823 0.500170 1 W W36 1 0.832952 0.749982 0.500407 1 W W37 1 0.916675 0.875022 0.500554 1 W W38 1 0.499984 0.000037 0.499924 1 W W39 1 0.583333 0.125074 0.499974 1 W W40 1 0.666713 0.250005 0.499976 1 W W41 1 0.749907 0.374904 0.499960 1 W W42 1 0.833205 0.499881 0.500002 1 W W43 1 0.916472 0.624722 0.500411 1 W W44 1 0.666682 0.000037 0.499924 1 W W45 1 0.749899 0.125012 0.499977 1 W W46 1 0.833256 0.250097 0.499949 1 W W47 1 0.916718 0.374980 0.499969 1 W W48 1 0.833124 0.000191 0.500054 1 W W49 1 0.916605 0.125166 0.500011 1 S S50 1 0.166573 0.916728 0.390154 1 S S51 1 0.083333 0.541862 0.389610 1 S S52 1 0.166752 0.666715 0.390137 1 S S53 1 0.249933 0.791542 0.390217 1 S S54 1 0.333175 0.916588 0.389580 1 S S55 1 0.083333 0.291724 0.389244 1 S S56 1 0.166652 0.416572 0.389105 1 S S57 1 0.250034 0.541493 0.389367 1 S S58 1 0.333453 0.666588 0.389677 1 S S59 1 0.416809 0.791720 0.389316 1 S S60 1 0.500052 0.916775 0.389118 1 S S61 1 0.083333 0.041822 0.389693 1 S S62 1 0.166658 0.166764 0.389248 1 S S63 1 0.250050 0.291667 0.389191 1 S S64 1 0.333396 0.416584 0.389249 1 S S65 1 0.416756 0.541594 0.389220 1 S S66 1 0.500025 0.666582 0.389230 1 S S67 1 0.583333 0.791668 0.389223 1 S S68 1 0.666615 0.916775 0.389117 1 S S69 1 0.250149 0.041780 0.389388 1 S S70 1 0.333408 0.166751 0.389250 1 S S71 1 0.416705 0.291665 0.389134 1 S S72 1 0.500034 0.416582 0.389182 1 S S73 1 0.583333 0.541564 0.389256 1 S S74 1 0.666642 0.666582 0.389230 1 S S75 1 0.749857 0.791720 0.389316 1 S S76 1 0.833492 0.916588 0.389580 1 S S77 1 0.416778 0.041749 0.389125 1 S S78 1 0.500048 0.166718 0.389203 1 S S79 1 0.583333 0.291632 0.389266 1 S S80 1 0.666633 0.416582 0.389182 1 S S81 1 0.749911 0.541593 0.389220 1 S S82 1 0.833213 0.666588 0.389677 1 S S83 1 0.916733 0.791542 0.390217 1 S S84 1 0.000094 0.916728 0.390154 1 S S85 1 0.583333 0.041705 0.389236 1 S S86 1 0.666619 0.166718 0.389203 1 S S87 1 0.749961 0.291665 0.389134 1 S S88 1 0.833271 0.416584 0.389249 1 S S89 1 0.916633 0.541493 0.389367 1 S S90 1 -0.000085 0.666715 0.390137 1 S S91 1 0.749889 0.041749 0.389125 1 S S92 1 0.833259 0.166751 0.389250 1 S S93 1 0.916617 0.291667 0.389191 1 S S94 1 0.000015 0.416572 0.389105 1 S S95 1 0.916518 0.041780 0.389388 1 S S96 1 0.000008 0.166764 0.389248 1 S S97 1 0.083333 0.791696 0.610936 1 S S98 1 0.166819 0.916991 0.611242 1 S S99 1 0.083333 0.541504 0.610759 1 S S100 1 0.166945 0.666381 0.611303 1 S S101 1 0.250354 0.791594 0.611212 1 S S102 1 0.333519 0.916760 0.610775 1 S S103 1 0.083333 0.291729 0.610682 1 S S104 1 0.166680 0.416539 0.610837 1 S S105 1 0.250063 0.541242 0.610875 1 S S106 1 0.333662 0.666484 0.610877 1 S S107 1 0.417070 0.791832 0.610900 1 S S108 1 0.500101 0.916774 0.610807 1 S S109 1 0.083333 0.042025 0.610899 1 S S110 1 0.166743 0.166836 0.610852 1 S S111 1 0.250049 0.291677 0.610750 1 S S112 1 0.333396 0.416558 0.610690 1 S S113 1 0.416781 0.541502 0.610868 1 S S114 1 0.500121 0.666609 0.610831 1 S S115 1 0.583333 0.791691 0.610672 1 S S116 1 0.666566 0.916774 0.610808 1 S S117 1 0.250392 0.041926 0.610863 1 S S118 1 0.333430 0.166769 0.610690 1 S S119 1 0.416703 0.291668 0.610814 1 S S120 1 0.500036 0.416576 0.610776 1 S S121 1 0.583333 0.541563 0.610707 1 S S122 1 0.666545 0.666609 0.610831 1 S S123 1 0.749597 0.791832 0.610900 1 S S124 1 0.833147 0.916760 0.610775 1 S S125 1 0.416803 0.041774 0.610827 1 S S126 1 0.500056 0.166714 0.610776 1 S S127 1 0.583333 0.291632 0.610720 1 S S128 1 0.666631 0.416576 0.610776 1 S S129 1 0.749886 0.541502 0.610868 1 S S130 1 0.833005 0.666484 0.610877 1 S S131 1 0.916312 0.791594 0.611212 1 S S132 1 -0.000152 0.916991 0.611242 1 S S133 1 0.583333 0.041700 0.610660 1 S S134 1 0.666611 0.166714 0.610776 1 S S135 1 0.749964 0.291668 0.610814 1 S S136 1 0.833270 0.416558 0.610690 1 S S137 1 0.916604 0.541242 0.610875 1 S S138 1 -0.000278 0.666381 0.611303 1 S S139 1 0.749864 0.041774 0.610827 1 S S140 1 0.833236 0.166769 0.610690 1 S S141 1 0.916618 0.291677 0.610750 1 S S142 1 -0.000014 0.416539 0.610837 1 S S143 1 0.916274 0.041926 0.610863 1 S S144 1 -0.000076 0.166836 0.610852 1