# generated using pymatgen data_InW48S95 _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 InW48S95 _chemical_formula_sum 'In1 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 In In1 1 0.083333 0.791673 0.285714 1 W W2 1 0.003197 0.751661 0.508036 1 W W3 1 0.083333 0.871818 0.508040 1 W W4 1 0.000115 0.500855 0.500717 1 W W5 1 0.083333 0.626956 0.503816 1 W W6 1 0.163469 0.751661 0.508036 1 W W7 1 0.248177 0.874063 0.503774 1 W W8 1 0.000102 0.250084 0.499575 1 W W9 1 0.083333 0.375473 0.499996 1 W W10 1 0.166552 0.500855 0.500717 1 W W11 1 0.249450 0.626010 0.501008 1 W W12 1 0.332221 0.749959 0.500935 1 W W13 1 0.416037 0.874605 0.500547 1 W W14 1 0.000661 -0.000856 0.501016 1 W W15 1 0.083333 0.124751 0.499776 1 W W16 1 0.166565 0.250083 0.499575 1 W W17 1 0.249837 0.375355 0.499783 1 W W18 1 0.333040 0.500525 0.499819 1 W W19 1 0.416395 0.625208 0.499733 1 W W20 1 0.499677 0.749904 0.499563 1 W W21 1 0.583333 0.874692 0.499704 1 W W22 1 0.166006 -0.000856 0.501016 1 W W23 1 0.249618 0.124609 0.499795 1 W W24 1 0.333079 0.249940 0.499650 1 W W25 1 0.416492 0.375155 0.499732 1 W W26 1 0.499893 0.500169 0.499623 1 W W27 1 0.583333 0.625095 0.499410 1 W W28 1 0.666989 0.749904 0.499563 1 W W29 1 0.750630 0.874605 0.500547 1 W W30 1 0.332666 -0.000524 0.500674 1 W W31 1 0.416374 0.124672 0.499825 1 W W32 1 0.499870 0.249854 0.499810 1 W W33 1 0.583333 0.375035 0.499831 1 W W34 1 0.666773 0.500169 0.499623 1 W W35 1 0.750271 0.625208 0.499733 1 W W36 1 0.834446 0.749959 0.500935 1 W W37 1 0.918490 0.874063 0.503775 1 W W38 1 0.499754 -0.000419 0.499943 1 W W39 1 0.583333 0.124661 0.499744 1 W W40 1 0.666797 0.249854 0.499810 1 W W41 1 0.750175 0.375155 0.499732 1 W W42 1 0.833627 0.500525 0.499819 1 W W43 1 0.917217 0.626010 0.501008 1 W W44 1 0.666913 -0.000419 0.499943 1 W W45 1 0.750292 0.124672 0.499825 1 W W46 1 0.833587 0.249940 0.499650 1 W W47 1 0.916830 0.375355 0.499783 1 W W48 1 0.834001 -0.000524 0.500674 1 W W49 1 0.917048 0.124609 0.499795 1 S S50 1 0.164276 0.912955 0.393353 1 S S51 1 0.083333 0.543833 0.391287 1 S S52 1 0.164129 0.670396 0.393337 1 S S53 1 0.245120 0.791745 0.393332 1 S S54 1 0.331337 0.915578 0.391216 1 S S55 1 0.083333 0.292071 0.389013 1 S S56 1 0.166484 0.417588 0.389522 1 S S57 1 0.249300 0.542812 0.389760 1 S S58 1 0.332494 0.667124 0.389663 1 S S59 1 0.415421 0.791582 0.389591 1 S S60 1 0.499384 0.916197 0.389378 1 S S61 1 0.083333 0.040845 0.389714 1 S S62 1 0.166540 0.166472 0.388960 1 S S63 1 0.249856 0.291896 0.388967 1 S S64 1 0.333111 0.417091 0.389124 1 S S65 1 0.416379 0.541932 0.388954 1 S S66 1 0.499721 0.666718 0.388730 1 S S67 1 0.583333 0.791496 0.388852 1 S S68 1 0.667283 0.916197 0.389378 1 S S69 1 0.249282 0.040612 0.389777 1 S S70 1 0.332994 0.166338 0.389124 1 S S71 1 0.416523 0.291649 0.389136 1 S S72 1 0.499936 0.416717 0.389103 1 S S73 1 0.583333 0.541720 0.388830 1 S S74 1 0.666946 0.666718 0.388730 1 S S75 1 0.751246 0.791582 0.389591 1 S S76 1 0.835330 0.915578 0.391216 1 S S77 1 0.416007 0.041019 0.389533 1 S S78 1 0.499831 0.166361 0.389190 1 S S79 1 0.583333 0.291554 0.389279 1 S S80 1 0.666731 0.416717 0.389103 1 S S81 1 0.750288 0.541932 0.388954 1 S S82 1 0.834173 0.667124 0.389663 1 S S83 1 0.921547 0.791745 0.393332 1 S S84 1 0.002391 0.912955 0.393353 1 S S85 1 0.583333 0.041163 0.389227 1 S S86 1 0.666836 0.166361 0.389190 1 S S87 1 0.750144 0.291649 0.389136 1 S S88 1 0.833556 0.417091 0.389123 1 S S89 1 0.917366 0.542812 0.389760 1 S S90 1 0.002538 0.670396 0.393338 1 S S91 1 0.750660 0.041019 0.389533 1 S S92 1 0.833673 0.166338 0.389124 1 S S93 1 0.916810 0.291896 0.388967 1 S S94 1 0.000182 0.417588 0.389522 1 S S95 1 0.917385 0.040612 0.389777 1 S S96 1 0.000127 0.166472 0.388960 1 S S97 1 0.083333 0.791712 0.621618 1 S S98 1 0.165624 0.916952 0.615100 1 S S99 1 0.083333 0.541997 0.612232 1 S S100 1 0.167477 0.667413 0.615113 1 S S101 1 0.249812 0.790722 0.615050 1 S S102 1 0.333234 0.916460 0.612098 1 S S103 1 0.083333 0.291827 0.610331 1 S S104 1 0.166676 0.417005 0.610795 1 S S105 1 0.250123 0.542223 0.611156 1 S S106 1 0.333417 0.666710 0.611205 1 S S107 1 0.416508 0.791260 0.610942 1 S S108 1 0.499983 0.916284 0.610663 1 S S109 1 0.083333 0.041747 0.611238 1 S S110 1 0.166527 0.166693 0.610378 1 S S111 1 0.249828 0.291797 0.610296 1 S S112 1 0.333194 0.416996 0.610399 1 S S113 1 0.416604 0.541886 0.610446 1 S S114 1 0.499988 0.666662 0.610282 1 S S115 1 0.583333 0.791368 0.610192 1 S S116 1 0.666684 0.916284 0.610663 1 S S117 1 0.249487 0.041528 0.611108 1 S S118 1 0.332999 0.166501 0.610341 1 S S119 1 0.416435 0.291654 0.610337 1 S S120 1 0.499899 0.416802 0.610401 1 S S121 1 0.583333 0.541827 0.610233 1 S S122 1 0.666679 0.666662 0.610282 1 S S123 1 0.750159 0.791260 0.610943 1 S S124 1 0.833433 0.916460 0.612098 1 S S125 1 0.416479 0.041394 0.610731 1 S S126 1 0.499879 0.166385 0.610380 1 S S127 1 0.583333 0.291554 0.610435 1 S S128 1 0.666767 0.416802 0.610401 1 S S129 1 0.750062 0.541886 0.610446 1 S S130 1 0.833249 0.666710 0.611205 1 S S131 1 0.916855 0.790722 0.615050 1 S S132 1 0.001043 0.916952 0.615100 1 S S133 1 0.583333 0.041294 0.610427 1 S S134 1 0.666788 0.166385 0.610380 1 S S135 1 0.750232 0.291654 0.610337 1 S S136 1 0.833472 0.416996 0.610399 1 S S137 1 0.916543 0.542223 0.611156 1 S S138 1 -0.000810 0.667413 0.615113 1 S S139 1 0.750188 0.041394 0.610731 1 S S140 1 0.833668 0.166501 0.610341 1 S S141 1 0.916838 0.291797 0.610296 1 S S142 1 -0.000009 0.417005 0.610795 1 S S143 1 0.917180 0.041528 0.611108 1 S S144 1 0.000140 0.166693 0.610378 1