# generated using pymatgen data_W48CS95 _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 W48CS95 _chemical_formula_sum 'W48 C1 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 W W1 1 -0.000180 0.750003 0.506475 1 W W2 1 0.083333 0.875138 0.506581 1 W W3 1 -0.000108 0.500038 0.499834 1 W W4 1 0.083333 0.624524 0.502560 1 W W5 1 0.166846 0.750003 0.506475 1 W W6 1 0.250479 0.875177 0.502505 1 W W7 1 0.000188 0.249878 0.498565 1 W W8 1 0.083334 0.374878 0.498851 1 W W9 1 0.166774 0.500038 0.499834 1 W W10 1 0.249328 0.625328 0.501069 1 W W11 1 0.332779 0.750302 0.500887 1 W W12 1 0.416712 0.874891 0.499498 1 W W13 1 -0.000026 -0.000667 0.501429 1 W W14 1 0.083333 0.124952 0.499532 1 W W15 1 0.166479 0.249878 0.498565 1 W W16 1 0.249990 0.375140 0.498435 1 W W17 1 0.333154 0.499904 0.498589 1 W W18 1 0.416702 0.625135 0.498775 1 W W19 1 0.500009 0.750176 0.498267 1 W W20 1 0.583334 0.874866 0.498360 1 W W21 1 0.166693 -0.000667 0.501430 1 W W22 1 0.250244 0.124909 0.499005 1 W W23 1 0.333221 0.249967 0.498096 1 W W24 1 0.416629 0.375098 0.497812 1 W W25 1 0.499912 0.500312 0.497818 1 W W26 1 0.583333 0.624950 0.497851 1 W W27 1 0.666657 0.750176 0.498267 1 W W28 1 0.749955 0.874891 0.499497 1 W W29 1 0.333296 0.000056 0.499840 1 W W30 1 0.416484 0.124857 0.498454 1 W W31 1 0.500092 0.250037 0.497834 1 W W32 1 0.583333 0.375022 0.497622 1 W W33 1 0.666754 0.500312 0.497818 1 W W34 1 0.749964 0.625135 0.498775 1 W W35 1 0.833888 0.750302 0.500887 1 W W36 1 0.916187 0.875177 0.502505 1 W W37 1 0.500186 -0.000071 0.498684 1 W W38 1 0.583333 0.124922 0.498208 1 W W39 1 0.666575 0.250037 0.497834 1 W W40 1 0.750038 0.375098 0.497812 1 W W41 1 0.833513 0.499905 0.498588 1 W W42 1 0.917338 0.625328 0.501070 1 W W43 1 0.666481 -0.000071 0.498683 1 W W44 1 0.750183 0.124857 0.498453 1 W W45 1 0.833445 0.249967 0.498095 1 W W46 1 0.916677 0.375140 0.498434 1 W W47 1 0.833371 0.000057 0.499839 1 W W48 1 0.916423 0.124909 0.499004 1 C C49 1 0.083333 0.791612 0.445274 1 S S50 1 0.165796 0.914721 0.392461 1 S S51 1 0.083333 0.542360 0.389814 1 S S52 1 0.165060 0.668323 0.392332 1 S S53 1 0.247542 0.792049 0.392193 1 S S54 1 0.332587 0.916347 0.389637 1 S S55 1 0.083333 0.291683 0.387819 1 S S56 1 0.166400 0.417055 0.388299 1 S S57 1 0.249412 0.542417 0.389048 1 S S58 1 0.332239 0.667176 0.389530 1 S S59 1 0.415678 0.791707 0.388653 1 S S60 1 0.499618 0.916542 0.388008 1 S S61 1 0.083334 0.040659 0.390141 1 S S62 1 0.166517 0.166197 0.388329 1 S S63 1 0.249717 0.291669 0.387759 1 S S64 1 0.333040 0.416894 0.387451 1 S S65 1 0.416165 0.542026 0.387657 1 S S66 1 0.499622 0.666856 0.387481 1 S S67 1 0.583333 0.791702 0.387254 1 S S68 1 0.667048 0.916542 0.388006 1 S S69 1 0.249479 0.040927 0.389322 1 S S70 1 0.333126 0.166386 0.387680 1 S S71 1 0.416518 0.291619 0.387333 1 S S72 1 0.499890 0.416898 0.387166 1 S S73 1 0.583333 0.541845 0.386992 1 S S74 1 0.667044 0.666857 0.387481 1 S S75 1 0.750988 0.791707 0.388653 1 S S76 1 0.834080 0.916347 0.389636 1 S S77 1 0.416373 0.041240 0.388247 1 S S78 1 0.499853 0.166412 0.387600 1 S S79 1 0.583333 0.291655 0.387051 1 S S80 1 0.666777 0.416898 0.387166 1 S S81 1 0.750502 0.542026 0.387656 1 S S82 1 0.834427 0.667176 0.389529 1 S S83 1 0.919124 0.792049 0.392192 1 S S84 1 0.000872 0.914721 0.392461 1 S S85 1 0.583334 0.041433 0.387651 1 S S86 1 0.666814 0.166412 0.387600 1 S S87 1 0.750148 0.291619 0.387333 1 S S88 1 0.833626 0.416894 0.387450 1 S S89 1 0.917255 0.542417 0.389048 1 S S90 1 0.001606 0.668323 0.392332 1 S S91 1 0.750294 0.041240 0.388246 1 S S92 1 0.833541 0.166386 0.387679 1 S S93 1 0.916949 0.291670 0.387758 1 S S94 1 0.000267 0.417055 0.388299 1 S S95 1 0.917188 0.040927 0.389322 1 S S96 1 0.000150 0.166197 0.388329 1 S S97 1 0.083333 0.791607 0.622343 1 S S98 1 0.168130 0.917597 0.614581 1 S S99 1 0.083333 0.540475 0.611772 1 S S100 1 0.167043 0.665128 0.614427 1 S S101 1 0.251867 0.792172 0.614384 1 S S102 1 0.334629 0.917156 0.611631 1 S S103 1 0.083333 0.291531 0.609450 1 S S104 1 0.166781 0.416268 0.609750 1 S S105 1 0.250437 0.541191 0.610397 1 S S106 1 0.333850 0.666492 0.610669 1 S S107 1 0.417466 0.791587 0.610119 1 S S108 1 0.500414 0.916631 0.609537 1 S S109 1 0.083333 0.042007 0.611231 1 S S110 1 0.166837 0.166754 0.609691 1 S S111 1 0.250067 0.291642 0.608915 1 S S112 1 0.333535 0.416537 0.609006 1 S S113 1 0.416798 0.541623 0.609044 1 S S114 1 0.500274 0.666745 0.608917 1 S S115 1 0.583333 0.791583 0.609048 1 S S116 1 0.666254 0.916631 0.609536 1 S S117 1 0.250430 0.042138 0.610658 1 S S118 1 0.333518 0.166892 0.609255 1 S S119 1 0.416738 0.291740 0.608441 1 S S120 1 0.500053 0.416793 0.608265 1 S S121 1 0.583333 0.541749 0.608571 1 S S122 1 0.666393 0.666745 0.608917 1 S S123 1 0.749200 0.791588 0.610118 1 S S124 1 0.832037 0.917156 0.611630 1 S S125 1 0.417105 0.041845 0.609691 1 S S126 1 0.500022 0.166782 0.608698 1 S S127 1 0.583333 0.291807 0.608447 1 S S128 1 0.666614 0.416793 0.608265 1 S S129 1 0.749868 0.541623 0.609044 1 S S130 1 0.832816 0.666492 0.610668 1 S S131 1 0.914799 0.792172 0.614384 1 S S132 1 -0.001464 0.917597 0.614580 1 S S133 1 0.583334 0.041780 0.609336 1 S S134 1 0.666645 0.166782 0.608698 1 S S135 1 0.749929 0.291740 0.608441 1 S S136 1 0.833132 0.416537 0.609005 1 S S137 1 0.916229 0.541191 0.610398 1 S S138 1 -0.000376 0.665129 0.614427 1 S S139 1 0.749562 0.041845 0.609690 1 S S140 1 0.833149 0.166892 0.609254 1 S S141 1 0.916600 0.291642 0.608915 1 S S142 1 -0.000114 0.416268 0.609749 1 S S143 1 0.916237 0.042138 0.610657 1 S S144 1 -0.000170 0.166754 0.609691 1