# 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 0.791752 0.371787 1 W W2 1 0.000343 0.749982 0.500715 1 W W3 1 0.083333 0.874845 0.500558 1 W W4 1 -0.000045 0.499805 0.500067 1 W W5 1 0.083333 0.625008 0.500477 1 W W6 1 0.166323 0.749982 0.500715 1 W W7 1 0.250085 0.875101 0.500428 1 W W8 1 -0.000017 0.250012 0.499968 1 W W9 1 0.083333 0.375005 0.499933 1 W W10 1 0.166712 0.499805 0.500067 1 W W11 1 0.250098 0.624779 0.500471 1 W W12 1 0.333597 0.750038 0.500450 1 W W13 1 0.416830 0.875048 0.500049 1 W W14 1 -0.000118 0.000197 0.500473 1 W W15 1 0.083333 0.125164 0.500153 1 W W16 1 0.166684 0.250012 0.499968 1 W W17 1 0.249975 0.374958 0.499961 1 W W18 1 0.333377 0.499920 0.500007 1 W W19 1 0.416791 0.624889 0.500142 1 W W20 1 0.500057 0.750021 0.499978 1 W W21 1 0.583333 0.875107 0.499946 1 W W22 1 0.166785 0.000197 0.500473 1 W W23 1 0.250075 0.125084 0.500015 1 W W24 1 0.333380 0.250053 0.499958 1 W W25 1 0.416707 0.374933 0.499962 1 W W26 1 0.499996 0.499928 0.499974 1 W W27 1 0.583333 0.624988 0.499958 1 W W28 1 0.666609 0.750021 0.499978 1 W W29 1 0.749837 0.875048 0.500049 1 W W30 1 0.333489 0.000143 0.500064 1 W W31 1 0.416726 0.125014 0.499969 1 W W32 1 0.499989 0.249999 0.499981 1 W W33 1 0.583333 0.374989 0.499981 1 W W34 1 0.666671 0.499928 0.499974 1 W W35 1 0.749876 0.624889 0.500142 1 W W36 1 0.833070 0.750038 0.500450 1 W W37 1 0.916581 0.875101 0.500428 1 W W38 1 0.500014 0.000047 0.499929 1 W W39 1 0.583333 0.125062 0.499975 1 W W40 1 0.666678 0.249999 0.499981 1 W W41 1 0.749960 0.374933 0.499962 1 W W42 1 0.833289 0.499920 0.500007 1 W W43 1 0.916569 0.624779 0.500471 1 W W44 1 0.666652 0.000047 0.499929 1 W W45 1 0.749941 0.125014 0.499969 1 W W46 1 0.833287 0.250053 0.499958 1 W W47 1 0.916692 0.374958 0.499961 1 W W48 1 0.833178 0.000143 0.500064 1 W W49 1 0.916591 0.125084 0.500015 1 S S50 1 0.166540 0.916649 0.389881 1 S S51 1 0.083333 0.541799 0.389471 1 S S52 1 0.166672 0.666770 0.389876 1 S S53 1 0.249786 0.791573 0.390008 1 S S54 1 0.333242 0.916643 0.389399 1 S S55 1 0.083333 0.291678 0.389156 1 S S56 1 0.166655 0.416604 0.389101 1 S S57 1 0.249968 0.541601 0.389319 1 S S58 1 0.333317 0.666665 0.389630 1 S S59 1 0.416678 0.791710 0.389273 1 S S60 1 0.500008 0.916743 0.389104 1 S S61 1 0.083333 0.041690 0.389628 1 S S62 1 0.166667 0.166675 0.389213 1 S S63 1 0.250015 0.291644 0.389135 1 S S64 1 0.333354 0.416623 0.389179 1 S S65 1 0.416687 0.541631 0.389194 1 S S66 1 0.499976 0.666634 0.389203 1 S S67 1 0.583333 0.791700 0.389149 1 S S68 1 0.666658 0.916743 0.389104 1 S S69 1 0.250045 0.041675 0.389336 1 S S70 1 0.333371 0.166705 0.389172 1 S S71 1 0.416699 0.291653 0.389111 1 S S72 1 0.500007 0.416617 0.389138 1 S S73 1 0.583333 0.541618 0.389190 1 S S74 1 0.666690 0.666634 0.389203 1 S S75 1 0.749989 0.791710 0.389273 1 S S76 1 0.833425 0.916643 0.389399 1 S S77 1 0.416724 0.041714 0.389109 1 S S78 1 0.500020 0.166699 0.389143 1 S S79 1 0.583333 0.291656 0.389188 1 S S80 1 0.666659 0.416617 0.389138 1 S S81 1 0.749979 0.541631 0.389194 1 S S82 1 0.833350 0.666665 0.389630 1 S S83 1 0.916881 0.791573 0.390008 1 S S84 1 0.000127 0.916649 0.389881 1 S S85 1 0.583333 0.041719 0.389141 1 S S86 1 0.666647 0.166699 0.389143 1 S S87 1 0.749968 0.291653 0.389111 1 S S88 1 0.833312 0.416623 0.389179 1 S S89 1 0.916699 0.541601 0.389319 1 S S90 1 -0.000005 0.666770 0.389876 1 S S91 1 0.749942 0.041714 0.389109 1 S S92 1 0.833295 0.166705 0.389173 1 S S93 1 0.916651 0.291644 0.389135 1 S S94 1 0.000012 0.416604 0.389101 1 S S95 1 0.916621 0.041675 0.389336 1 S S96 1 0.000000 0.166675 0.389213 1 S S97 1 0.083333 0.791709 0.610595 1 S S98 1 0.166971 0.916885 0.611372 1 S S99 1 0.083333 0.541492 0.610893 1 S S100 1 0.166793 0.666303 0.611466 1 S S101 1 0.250300 0.791756 0.611320 1 S S102 1 0.333518 0.916776 0.610918 1 S S103 1 0.083333 0.291680 0.610739 1 S S104 1 0.166674 0.416540 0.610863 1 S S105 1 0.250033 0.541319 0.611012 1 S S106 1 0.333546 0.666552 0.611007 1 S S107 1 0.416984 0.791808 0.611008 1 S S108 1 0.500075 0.916760 0.610836 1 S S109 1 0.083333 0.041904 0.611058 1 S S110 1 0.166731 0.166756 0.610872 1 S S111 1 0.250021 0.291651 0.610774 1 S S112 1 0.333361 0.416584 0.610751 1 S S113 1 0.416732 0.541553 0.610876 1 S S114 1 0.500073 0.666655 0.610834 1 S S115 1 0.583333 0.791725 0.610746 1 S S116 1 0.666592 0.916760 0.610836 1 S S117 1 0.250298 0.041863 0.611000 1 S S118 1 0.333406 0.166737 0.610766 1 S S119 1 0.416692 0.291659 0.610809 1 S S120 1 0.500006 0.416608 0.610790 1 S S121 1 0.583333 0.541617 0.610744 1 S S122 1 0.666594 0.666655 0.610834 1 S S123 1 0.749682 0.791808 0.611008 1 S S124 1 0.833149 0.916776 0.610918 1 S S125 1 0.416785 0.041745 0.610858 1 S S126 1 0.500026 0.166693 0.610797 1 S S127 1 0.583333 0.291657 0.610767 1 S S128 1 0.666661 0.416608 0.610790 1 S S129 1 0.749935 0.541553 0.610876 1 S S130 1 0.833120 0.666552 0.611007 1 S S131 1 0.916366 0.791756 0.611320 1 S S132 1 -0.000304 0.916885 0.611372 1 S S133 1 0.583333 0.041713 0.610735 1 S S134 1 0.666641 0.166694 0.610797 1 S S135 1 0.749975 0.291659 0.610810 1 S S136 1 0.833305 0.416584 0.610751 1 S S137 1 0.916634 0.541319 0.611012 1 S S138 1 -0.000127 0.666303 0.611466 1 S S139 1 0.749881 0.041745 0.610858 1 S S140 1 0.833260 0.166737 0.610766 1 S S141 1 0.916646 0.291651 0.610774 1 S S142 1 -0.000007 0.416540 0.610863 1 S S143 1 0.916369 0.041863 0.611000 1 S S144 1 -0.000064 0.166756 0.610872 1