# 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 0.000707 0.750330 0.505477 1 W W2 1 0.083333 0.874268 0.505500 1 W W3 1 -0.000027 0.499717 0.499696 1 W W4 1 0.083333 0.624371 0.501863 1 W W5 1 0.165959 0.750330 0.505477 1 W W6 1 0.250573 0.875278 0.501904 1 W W7 1 0.000053 0.249811 0.498910 1 W W8 1 0.083333 0.374741 0.499112 1 W W9 1 0.166694 0.499717 0.499696 1 W W10 1 0.249431 0.624983 0.500728 1 W W11 1 0.333038 0.750393 0.500674 1 W W12 1 0.416861 0.875097 0.499473 1 W W13 1 -0.000275 -0.000446 0.500950 1 W W14 1 0.083333 0.124784 0.499506 1 W W15 1 0.166614 0.249811 0.498910 1 W W16 1 0.250008 0.374900 0.498751 1 W W17 1 0.333243 0.499908 0.498773 1 W W18 1 0.416540 0.625101 0.498871 1 W W19 1 0.500010 0.750113 0.498559 1 W W20 1 0.583333 0.875045 0.498587 1 W W21 1 0.166942 -0.000446 0.500949 1 W W22 1 0.250135 0.124955 0.499109 1 W W23 1 0.333327 0.249978 0.498498 1 W W24 1 0.416648 0.375063 0.498285 1 W W25 1 0.499947 0.500174 0.498165 1 W W26 1 0.583333 0.625051 0.498166 1 W W27 1 0.666656 0.750114 0.498559 1 W W28 1 0.749806 0.875097 0.499473 1 W W29 1 0.333537 0.000135 0.499652 1 W W30 1 0.416680 0.125067 0.498675 1 W W31 1 0.500055 0.250127 0.498355 1 W W32 1 0.583333 0.375112 0.498178 1 W W33 1 0.666720 0.500174 0.498165 1 W W34 1 0.750127 0.625101 0.498872 1 W W35 1 0.833628 0.750393 0.500675 1 W W36 1 0.916094 0.875278 0.501904 1 W W37 1 0.500136 0.000115 0.498768 1 W W38 1 0.583333 0.125111 0.498497 1 W W39 1 0.666612 0.250127 0.498355 1 W W40 1 0.750019 0.375063 0.498285 1 W W41 1 0.833424 0.499908 0.498773 1 W W42 1 0.917236 0.624983 0.500728 1 W W43 1 0.666531 0.000115 0.498768 1 W W44 1 0.749987 0.125067 0.498675 1 W W45 1 0.833339 0.249978 0.498497 1 W W46 1 0.916659 0.374900 0.498751 1 W W47 1 0.833129 0.000135 0.499652 1 W W48 1 0.916532 0.124955 0.499109 1 C C49 1 0.083333 0.791649 0.442184 1 S S50 1 0.165896 0.914910 0.391982 1 S S51 1 0.083333 0.541863 0.389481 1 S S52 1 0.165247 0.668099 0.391885 1 S S53 1 0.247822 0.792003 0.391887 1 S S54 1 0.332959 0.916546 0.389391 1 S S55 1 0.083333 0.291504 0.388104 1 S S56 1 0.166503 0.416667 0.388315 1 S S57 1 0.249502 0.542037 0.388879 1 S S58 1 0.332340 0.667120 0.389376 1 S S59 1 0.415952 0.791811 0.388677 1 S S60 1 0.499820 0.916712 0.388009 1 S S61 1 0.083333 0.040748 0.389747 1 S S62 1 0.166534 0.166278 0.388347 1 S S63 1 0.249816 0.291548 0.387887 1 S S64 1 0.333106 0.416721 0.387704 1 S S65 1 0.416269 0.541906 0.387745 1 S S66 1 0.499665 0.666814 0.387661 1 S S67 1 0.583333 0.791745 0.387592 1 S S68 1 0.666846 0.916712 0.388009 1 S S69 1 0.249752 0.041161 0.389042 1 S S70 1 0.333204 0.166522 0.387851 1 S S71 1 0.416598 0.291671 0.387557 1 S S72 1 0.499922 0.416797 0.387398 1 S S73 1 0.583333 0.541800 0.387253 1 S S74 1 0.667002 0.666814 0.387662 1 S S75 1 0.750715 0.791810 0.388677 1 S S76 1 0.833708 0.916546 0.389391 1 S S77 1 0.416545 0.041579 0.388136 1 S S78 1 0.499949 0.166697 0.387691 1 S S79 1 0.583333 0.291755 0.387442 1 S S80 1 0.666745 0.416797 0.387397 1 S S81 1 0.750398 0.541906 0.387745 1 S S82 1 0.834327 0.667120 0.389376 1 S S83 1 0.918844 0.792003 0.391887 1 S S84 1 0.000770 0.914910 0.391982 1 S S85 1 0.583333 0.041710 0.387730 1 S S86 1 0.666718 0.166697 0.387691 1 S S87 1 0.750069 0.291671 0.387557 1 S S88 1 0.833560 0.416721 0.387704 1 S S89 1 0.917165 0.542037 0.388879 1 S S90 1 0.001420 0.668099 0.391885 1 S S91 1 0.750122 0.041579 0.388136 1 S S92 1 0.833463 0.166522 0.387851 1 S S93 1 0.916851 0.291548 0.387887 1 S S94 1 0.000164 0.416667 0.388315 1 S S95 1 0.916915 0.041161 0.389042 1 S S96 1 0.000133 0.166278 0.388347 1 S S97 1 0.083333 0.791619 0.622371 1 S S98 1 0.168017 0.917522 0.613472 1 S S99 1 0.083333 0.540414 0.611410 1 S S100 1 0.166919 0.665177 0.613345 1 S S101 1 0.251606 0.792185 0.613373 1 S S102 1 0.334569 0.917231 0.611342 1 S S103 1 0.083333 0.291391 0.609845 1 S S104 1 0.166794 0.416146 0.610028 1 S S105 1 0.250307 0.541062 0.610337 1 S S106 1 0.333625 0.666512 0.610481 1 S S107 1 0.417411 0.791743 0.610177 1 S S108 1 0.500429 0.916850 0.609752 1 S S109 1 0.083333 0.041780 0.610871 1 S S110 1 0.166779 0.166630 0.609966 1 S S111 1 0.250114 0.291538 0.609485 1 S S112 1 0.333485 0.416513 0.609414 1 S S113 1 0.416782 0.541618 0.609341 1 S S114 1 0.500171 0.666679 0.609237 1 S S115 1 0.583333 0.791677 0.609331 1 S S116 1 0.666238 0.916850 0.609752 1 S S117 1 0.250511 0.042090 0.610519 1 S S118 1 0.333528 0.166842 0.609588 1 S S119 1 0.416726 0.291768 0.609142 1 S S120 1 0.500030 0.416817 0.608963 1 S S121 1 0.583333 0.541742 0.608934 1 S S122 1 0.666496 0.666679 0.609237 1 S S123 1 0.749255 0.791743 0.610177 1 S S124 1 0.832097 0.917231 0.611342 1 S S125 1 0.417120 0.041981 0.609859 1 S S126 1 0.500075 0.166881 0.609289 1 S S127 1 0.583333 0.291878 0.609156 1 S S128 1 0.666637 0.416817 0.608963 1 S S129 1 0.749885 0.541618 0.609341 1 S S130 1 0.833043 0.666512 0.610482 1 S S131 1 0.915060 0.792186 0.613374 1 S S132 1 -0.001350 0.917522 0.613472 1 S S133 1 0.583333 0.041908 0.609528 1 S S134 1 0.666592 0.166881 0.609289 1 S S135 1 0.749941 0.291768 0.609142 1 S S136 1 0.833182 0.416513 0.609414 1 S S137 1 0.916360 0.541062 0.610337 1 S S138 1 -0.000252 0.665177 0.613345 1 S S139 1 0.749547 0.041981 0.609859 1 S S140 1 0.833139 0.166843 0.609588 1 S S141 1 0.916553 0.291538 0.609485 1 S S142 1 -0.000127 0.416145 0.610028 1 S S143 1 0.916156 0.042090 0.610519 1 S S144 1 -0.000112 0.166630 0.609966 1