# generated using pymatgen data_AlW48S95 _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 AlW48S95 _chemical_formula_sum 'Al1 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 Al Al1 1 0.083333 0.791652 0.378648 1 W W2 1 -0.002186 0.748885 0.502560 1 W W3 1 0.083333 0.877222 0.502525 1 W W4 1 -0.000216 0.499972 0.499863 1 W W5 1 0.083333 0.625807 0.500333 1 W W6 1 0.168853 0.748885 0.502560 1 W W7 1 0.249193 0.874595 0.500330 1 W W8 1 -0.000026 0.250149 0.500033 1 W W9 1 0.083333 0.375142 0.500018 1 W W10 1 0.166882 0.499972 0.499863 1 W W11 1 0.250200 0.624744 0.499861 1 W W12 1 0.333680 0.749954 0.499892 1 W W13 1 0.416841 0.874834 0.499873 1 W W14 1 -0.000157 0.000298 0.499867 1 W W15 1 0.083333 0.125338 0.499930 1 W W16 1 0.166692 0.250149 0.500033 1 W W17 1 0.250004 0.375058 0.499986 1 W W18 1 0.333468 0.499951 0.499867 1 W W19 1 0.416939 0.624814 0.499937 1 W W20 1 0.500047 0.749870 0.499860 1 W W21 1 0.583333 0.874947 0.499966 1 W W22 1 0.166823 0.000298 0.499867 1 W W23 1 0.249987 0.125163 0.499874 1 W W24 1 0.333347 0.250102 0.499998 1 W W25 1 0.416728 0.374975 0.499998 1 W W26 1 0.500045 0.499915 0.500025 1 W W27 1 0.583333 0.624893 0.500027 1 W W28 1 0.666620 0.749870 0.499860 1 W W29 1 0.749825 0.874835 0.499873 1 W W30 1 0.333284 0.000184 0.499867 1 W W31 1 0.416676 0.125002 0.499983 1 W W32 1 0.499989 0.249993 0.500000 1 W W33 1 0.583333 0.374985 0.500007 1 W W34 1 0.666621 0.499915 0.500025 1 W W35 1 0.749727 0.624814 0.499937 1 W W36 1 0.832986 0.749954 0.499892 1 W W37 1 0.917474 0.874595 0.500330 1 W W38 1 0.499947 -0.000069 0.500021 1 W W39 1 0.583333 0.124994 0.500023 1 W W40 1 0.666677 0.249993 0.500000 1 W W41 1 0.749938 0.374975 0.499998 1 W W42 1 0.833198 0.499951 0.499867 1 W W43 1 0.916467 0.624744 0.499861 1 W W44 1 0.666719 -0.000069 0.500021 1 W W45 1 0.749991 0.125002 0.499983 1 W W46 1 0.833320 0.250102 0.499998 1 W W47 1 0.916662 0.375058 0.499986 1 W W48 1 0.833383 0.000184 0.499867 1 W W49 1 0.916680 0.125163 0.499874 1 S S50 1 0.166849 0.916508 0.389060 1 S S51 1 0.083333 0.542037 0.389697 1 S S52 1 0.166399 0.666616 0.389072 1 S S53 1 0.249911 0.791872 0.389085 1 S S54 1 0.332970 0.916475 0.389714 1 S S55 1 0.083333 0.291791 0.389291 1 S S56 1 0.166647 0.416656 0.389132 1 S S57 1 0.250150 0.541454 0.388983 1 S S58 1 0.333751 0.666443 0.389220 1 S S59 1 0.416914 0.791640 0.388992 1 S S60 1 0.500023 0.916686 0.389139 1 S S61 1 0.083333 0.042114 0.389210 1 S S62 1 0.166677 0.166907 0.389155 1 S S63 1 0.250022 0.291739 0.389215 1 S S64 1 0.333405 0.416586 0.389202 1 S S65 1 0.416840 0.541533 0.389128 1 S S66 1 0.500138 0.666525 0.389129 1 S S67 1 0.583333 0.791612 0.389180 1 S S68 1 0.666644 0.916686 0.389139 1 S S69 1 0.250146 0.041905 0.388999 1 S S70 1 0.333403 0.166783 0.389219 1 S S71 1 0.416698 0.291676 0.389214 1 S S72 1 0.500035 0.416616 0.389209 1 S S73 1 0.583333 0.541573 0.389240 1 S S74 1 0.666529 0.666525 0.389129 1 S S75 1 0.749753 0.791641 0.388992 1 S S76 1 0.833696 0.916475 0.389714 1 S S77 1 0.416734 0.041669 0.389161 1 S S78 1 0.500018 0.166668 0.389240 1 S S79 1 0.583333 0.291652 0.389253 1 S S80 1 0.666632 0.416616 0.389209 1 S S81 1 0.749827 0.541533 0.389128 1 S S82 1 0.832916 0.666443 0.389220 1 S S83 1 0.916756 0.791872 0.389085 1 S S84 1 -0.000183 0.916508 0.389060 1 S S85 1 0.583333 0.041629 0.389330 1 S S86 1 0.666648 0.166668 0.389240 1 S S87 1 0.749969 0.291676 0.389214 1 S S88 1 0.833261 0.416586 0.389202 1 S S89 1 0.916516 0.541454 0.388983 1 S S90 1 0.000267 0.666616 0.389072 1 S S91 1 0.749933 0.041669 0.389161 1 S S92 1 0.833263 0.166783 0.389219 1 S S93 1 0.916645 0.291739 0.389215 1 S S94 1 0.000020 0.416656 0.389132 1 S S95 1 0.916521 0.041905 0.388999 1 S S96 1 -0.000010 0.166907 0.389155 1 S S97 1 0.083333 0.791675 0.609193 1 S S98 1 0.167299 0.917543 0.612557 1 S S99 1 0.083333 0.541770 0.610227 1 S S100 1 0.167217 0.665744 0.612567 1 S S101 1 0.251163 0.791693 0.612556 1 S S102 1 0.333241 0.916609 0.610231 1 S S103 1 0.083333 0.291797 0.610794 1 S S104 1 0.166712 0.416742 0.610773 1 S S105 1 0.250205 0.541499 0.610688 1 S S106 1 0.333559 0.666527 0.610504 1 S S107 1 0.416914 0.791573 0.610710 1 S S108 1 0.500009 0.916590 0.610775 1 S S109 1 0.083333 0.041915 0.610488 1 S S110 1 0.166687 0.166824 0.610787 1 S S111 1 0.250030 0.291760 0.610818 1 S S112 1 0.333399 0.416654 0.610717 1 S S113 1 0.416759 0.541568 0.610808 1 S S114 1 0.500073 0.666579 0.610806 1 S S115 1 0.583333 0.791566 0.610650 1 S S116 1 0.666658 0.916590 0.610775 1 S S117 1 0.250080 0.041922 0.610679 1 S S118 1 0.333343 0.166747 0.610701 1 S S119 1 0.416695 0.291676 0.610810 1 S S120 1 0.500025 0.416609 0.610824 1 S S121 1 0.583333 0.541575 0.610837 1 S S122 1 0.666594 0.666579 0.610806 1 S S123 1 0.749752 0.791573 0.610710 1 S S124 1 0.833426 0.916609 0.610231 1 S S125 1 0.416625 0.041670 0.610753 1 S S126 1 0.499999 0.166662 0.610784 1 S S127 1 0.583333 0.291649 0.610771 1 S S128 1 0.666641 0.416609 0.610824 1 S S129 1 0.749907 0.541568 0.610808 1 S S130 1 0.833108 0.666527 0.610504 1 S S131 1 0.915504 0.791693 0.612556 1 S S132 1 -0.000633 0.917543 0.612557 1 S S133 1 0.583333 0.041625 0.610739 1 S S134 1 0.666668 0.166662 0.610784 1 S S135 1 0.749972 0.291676 0.610810 1 S S136 1 0.833267 0.416654 0.610717 1 S S137 1 0.916461 0.541499 0.610688 1 S S138 1 -0.000550 0.665744 0.612567 1 S S139 1 0.750042 0.041670 0.610753 1 S S140 1 0.833324 0.166747 0.610701 1 S S141 1 0.916637 0.291760 0.610818 1 S S142 1 -0.000046 0.416742 0.610773 1 S S143 1 0.916587 0.041922 0.610679 1 S S144 1 -0.000020 0.166824 0.610787 1