data_image0 _chemical_formula_structural IrSe32W16 _chemical_formula_sum "Ir1 Se32 W16" _cell_length_a 13.276026497871749 _cell_length_b 13.276026497871749 _cell_length_c 18.35855280439282 _cell_angle_alpha 90.0 _cell_angle_beta 90.0 _cell_angle_gamma 120.00000000000001 _space_group_name_H-M_alt "P 1" _space_group_IT_number 1 loop_ _space_group_symop_operation_xyz '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 Ir Ir1 1.0 0.026666311683237708 0.1386066500374441 0.4998995655180714 1.0000 Se Se1 1.0 0.42260188559406703 0.5853464106901656 0.5953266103775472 1.0000 Se Se2 1.0 0.42278784912452094 0.5854424541831543 0.4046958772762371 1.0000 Se Se3 1.0 0.9166106176237255 0.33191344201018996 0.5879775567616102 1.0000 Se Se4 1.0 0.4252898514438136 0.8377663270811289 0.5905170305480105 1.0000 Se Se5 1.0 0.4253033600030994 0.8377686354742295 0.4095069763728444 1.0000 Se Se6 1.0 0.9170537494382554 0.8344191393785256 0.4119865870361697 1.0000 Se Se7 1.0 0.9164236394803223 0.3319142581417326 0.4121208276691662 1.0000 Se Se8 1.0 0.6668529713317966 0.0799897189539938 0.5939691076140265 1.0000 Se Se9 1.0 0.6577803067342284 0.320109225759634 0.597591965365039 1.0000 Se Se10 1.0 0.6575869404591216 0.3202503444186876 0.4025347068672586 1.0000 Se Se11 1.0 0.9030644264037958 0.0755383982734995 0.3996572775636322 1.0000 Se Se12 1.0 0.6607462502855211 0.5877793496660804 0.5952256819628804 1.0000 Se Se13 1.0 0.6601586590346434 0.5876644297704982 0.4044777942870252 1.0000 Se Se14 1.0 0.9032228856509474 0.075420722638049 0.600377543556986 1.0000 Se Se15 1.0 0.6668706258812244 0.08002349858633129 0.4060350302774838 1.0000 Se Se16 1.0 0.6659558363880358 0.8360059845126157 0.5949630992989795 1.0000 Se Se17 1.0 0.42303400869025004 0.3364205595128646 0.4073475374833871 1.0000 Se Se18 1.0 0.1880723618317942 0.6017454343175285 0.6057690967731388 1.0000 Se Se19 1.0 0.16193482608374743 0.0836973585196441 0.585047437388146 1.0000 Se Se20 1.0 0.16197840410629102 0.0836898431585839 0.41498652516323137 1.0000 Se Se21 1.0 0.9170202627677791 0.8343815683432451 0.5879980095272169 1.0000 Se Se22 1.0 0.16248046648183104 0.3280975437756957 0.5849756474077398 1.0000 Se Se23 1.0 0.1625449140669829 0.3279997277998195 0.4149789564410071 1.0000 Se Se24 1.0 0.42314964565840646 0.336352480800552 0.5925468639051584 1.0000 Se Se25 1.0 0.6660234545532804 0.8360971884160202 0.4050219559310265 1.0000 Se Se26 1.0 0.9134916065171053 0.583639848087095 0.38612035101184466 1.0000 Se Se27 1.0 0.1897791817526843 0.841095079181547 0.6060032041444805 1.0000 Se Se28 1.0 0.18977348132827954 0.841048508339705 0.394049290902444 1.0000 Se Se29 1.0 0.9138565563846834 0.5839113389165993 0.6140151723602266 1.0000 Se Se30 1.0 0.42333062193809323 0.0873349543751499 0.595940698683714 1.0000 Se Se31 1.0 0.4232905225403232 0.08740456155446169 0.4040651496838658 1.0000 Se Se32 1.0 0.1880095304911492 0.6016868360406966 0.3942963866074588 1.0000 W W1 1.0 0.7399447872078043 0.2349411291192404 0.4999622562672853 1.0000 W W2 1.0 0.7408695475225608 0.7568449347736276 0.500056505328632 1.0000 W W3 1.0 0.6964782565504557 0.4692214099359399 0.49995158571703524 1.0000 W W4 1.0 0.8800153635396777 0.6655044089282245 0.500016177484058 1.0000 W W5 1.0 0.5033234927626489 0.748816404260684 0.5000049394238407 1.0000 W W6 1.0 0.4994086056492612 0.5038550493026228 0.4999156909736397 1.0000 W W7 1.0 0.4996831076119475 0.2442795325200257 0.49997958834203293 1.0000 W W8 1.0 0.25674634646136013 0.7548675955609625 0.5000344501936045 1.0000 W W9 1.0 0.2678950308522614 0.5044077095282455 0.4999734391529527 1.0000 W W10 1.0 0.263650457629983 0.2569634609520129 0.499996541272039 1.0000 W W11 1.0 0.270730699670197 0.014474642073237698 0.5000288958263677 1.0000 W W12 1.0 0.07581238282758031 0.8304232075813808 0.5000095558289391 1.0000 W W13 1.0 0.07497985296270479 0.49581700172975524 0.49987568537298616 1.0000 W W14 1.0 0.883533899455491 0.46508699779499807 0.5001061719584723 1.0000 W W15 1.0 0.754136881459057 0.0011748737855692 0.5000439796444818 1.0000 W W16 1.0 0.5033786094173008 0.0044264881049443 0.5000190154465715 1.0000