# 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 0.791771 0.372309 1 W W2 1 0.000130 0.749878 0.500476 1 W W3 1 0.083333 0.875041 0.500315 1 W W4 1 -0.000019 0.499791 0.500124 1 W W5 1 0.083333 0.624898 0.500425 1 W W6 1 0.166537 0.749878 0.500476 1 W W7 1 0.250163 0.875158 0.500371 1 W W8 1 -0.000017 0.249948 0.499956 1 W W9 1 0.083333 0.374912 0.499937 1 W W10 1 0.166685 0.499791 0.500124 1 W W11 1 0.250008 0.624806 0.500567 1 W W12 1 0.333515 0.750094 0.500538 1 W W13 1 0.416799 0.875093 0.500093 1 W W14 1 -0.000133 0.000119 0.500571 1 W W15 1 0.083333 0.125042 0.500186 1 W W16 1 0.166683 0.249948 0.499956 1 W W17 1 0.249992 0.374911 0.499947 1 W W18 1 0.333331 0.499924 0.500032 1 W W19 1 0.416705 0.624955 0.500170 1 W W20 1 0.500033 0.750084 0.499998 1 W W21 1 0.583333 0.875126 0.499927 1 W W22 1 0.166800 0.000119 0.500571 1 W W23 1 0.250092 0.125025 0.500039 1 W W24 1 0.333380 0.250006 0.499938 1 W W25 1 0.416689 0.374947 0.499945 1 W W26 1 0.499992 0.499964 0.499965 1 W W27 1 0.583333 0.625035 0.499958 1 W W28 1 0.666634 0.750084 0.499998 1 W W29 1 0.749867 0.875093 0.500093 1 W W30 1 0.333503 0.000117 0.500117 1 W W31 1 0.416734 0.125037 0.499954 1 W W32 1 0.500009 0.250012 0.499966 1 W W33 1 0.583333 0.374999 0.499968 1 W W34 1 0.666675 0.499964 0.499965 1 W W35 1 0.749962 0.624955 0.500169 1 W W36 1 0.833152 0.750094 0.500538 1 W W37 1 0.916504 0.875158 0.500371 1 W W38 1 0.500045 0.000092 0.499926 1 W W39 1 0.583333 0.125077 0.499958 1 W W40 1 0.666658 0.250012 0.499966 1 W W41 1 0.749978 0.374947 0.499945 1 W W42 1 0.833335 0.499924 0.500032 1 W W43 1 0.916658 0.624806 0.500567 1 W W44 1 0.666622 0.000092 0.499926 1 W W45 1 0.749933 0.125037 0.499954 1 W W46 1 0.833287 0.250006 0.499938 1 W W47 1 0.916675 0.374911 0.499947 1 W W48 1 0.833164 0.000117 0.500117 1 W W49 1 0.916575 0.125025 0.500039 1 S S50 1 0.166603 0.916641 0.389774 1 S S51 1 0.083333 0.541694 0.389507 1 S S52 1 0.166619 0.666722 0.389780 1 S S53 1 0.249793 0.791637 0.389911 1 S S54 1 0.333316 0.916696 0.389411 1 S S55 1 0.083333 0.291593 0.389169 1 S S56 1 0.166657 0.416584 0.389173 1 S S57 1 0.249923 0.541660 0.389418 1 S S58 1 0.333197 0.666727 0.389753 1 S S59 1 0.416585 0.791728 0.389364 1 S S60 1 0.499993 0.916755 0.389152 1 S S61 1 0.083333 0.041562 0.389743 1 S S62 1 0.166662 0.166581 0.389275 1 S S63 1 0.250008 0.291598 0.389163 1 S S64 1 0.333334 0.416632 0.389210 1 S S65 1 0.416635 0.541679 0.389273 1 S S66 1 0.499932 0.666686 0.389273 1 S S67 1 0.583333 0.791731 0.389174 1 S S68 1 0.666674 0.916755 0.389152 1 S S69 1 0.250004 0.041598 0.389426 1 S S70 1 0.333361 0.166664 0.389193 1 S S71 1 0.416700 0.291648 0.389159 1 S S72 1 0.500001 0.416644 0.389187 1 S S73 1 0.583333 0.541667 0.389219 1 S S74 1 0.666734 0.666686 0.389273 1 S S75 1 0.750081 0.791728 0.389364 1 S S76 1 0.833351 0.916696 0.389411 1 S S77 1 0.416710 0.041718 0.389162 1 S S78 1 0.500022 0.166713 0.389170 1 S S79 1 0.583333 0.291675 0.389213 1 S S80 1 0.666666 0.416644 0.389187 1 S S81 1 0.750031 0.541679 0.389273 1 S S82 1 0.833470 0.666727 0.389753 1 S S83 1 0.916874 0.791637 0.389911 1 S S84 1 0.000064 0.916641 0.389774 1 S S85 1 0.583333 0.041758 0.389137 1 S S86 1 0.666644 0.166713 0.389170 1 S S87 1 0.749967 0.291648 0.389159 1 S S88 1 0.833332 0.416632 0.389210 1 S S89 1 0.916743 0.541660 0.389418 1 S S90 1 0.000048 0.666722 0.389780 1 S S91 1 0.749957 0.041718 0.389162 1 S S92 1 0.833306 0.166664 0.389193 1 S S93 1 0.916658 0.291598 0.389163 1 S S94 1 0.000010 0.416584 0.389173 1 S S95 1 0.916662 0.041598 0.389426 1 S S96 1 0.000004 0.166581 0.389275 1 S S97 1 0.083333 0.791705 0.610054 1 S S98 1 0.167032 0.916779 0.611303 1 S S99 1 0.083333 0.541458 0.610935 1 S S100 1 0.166644 0.666307 0.611402 1 S S101 1 0.250216 0.791858 0.611251 1 S S102 1 0.333530 0.916792 0.610964 1 S S103 1 0.083333 0.291601 0.610703 1 S S104 1 0.166669 0.416483 0.610799 1 S S105 1 0.250003 0.541358 0.611017 1 S S106 1 0.333464 0.666603 0.611064 1 S S107 1 0.416921 0.791826 0.611000 1 S S108 1 0.500091 0.916790 0.610768 1 S S109 1 0.083333 0.041811 0.611128 1 S S110 1 0.166737 0.166691 0.610818 1 S S111 1 0.250018 0.291607 0.610713 1 S S112 1 0.333344 0.416575 0.610714 1 S S113 1 0.416698 0.541583 0.610812 1 S S114 1 0.500051 0.666707 0.610769 1 S S115 1 0.583333 0.791768 0.610706 1 S S116 1 0.666576 0.916790 0.610768 1 S S117 1 0.250272 0.041810 0.611012 1 S S118 1 0.333413 0.166711 0.610738 1 S S119 1 0.416685 0.291655 0.610742 1 S S120 1 0.499997 0.416637 0.610728 1 S S121 1 0.583333 0.541664 0.610689 1 S S122 1 0.666615 0.666707 0.610769 1 S S123 1 0.749745 0.791826 0.611000 1 S S124 1 0.833136 0.916792 0.610964 1 S S125 1 0.416813 0.041762 0.610808 1 S S126 1 0.500023 0.166706 0.610751 1 S S127 1 0.583333 0.291675 0.610740 1 S S128 1 0.666669 0.416637 0.610728 1 S S129 1 0.749968 0.541583 0.610812 1 S S130 1 0.833202 0.666603 0.611064 1 S S131 1 0.916451 0.791858 0.611251 1 S S132 1 -0.000365 0.916779 0.611303 1 S S133 1 0.583333 0.041748 0.610715 1 S S134 1 0.666643 0.166706 0.610751 1 S S135 1 0.749981 0.291655 0.610742 1 S S136 1 0.833323 0.416575 0.610714 1 S S137 1 0.916663 0.541358 0.611017 1 S S138 1 0.000023 0.666307 0.611402 1 S S139 1 0.749853 0.041762 0.610808 1 S S140 1 0.833253 0.166711 0.610738 1 S S141 1 0.916648 0.291607 0.610713 1 S S142 1 -0.000003 0.416483 0.610799 1 S S143 1 0.916395 0.041810 0.611012 1 S S144 1 -0.000070 0.166691 0.610818 1