# generated using pymatgen data_Y6Ta4Al43 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.03351647 _cell_length_b 11.03359103 _cell_length_c 17.78130899 _cell_angle_alpha 90.00005847 _cell_angle_beta 90.00002517 _cell_angle_gamma 120.00001090 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y6Ta4Al43 _chemical_formula_sum 'Y12 Ta8 Al86' _cell_volume 1874.67135211 _cell_formula_units_Z 2 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 Y Y0 1 0.53123750 0.00000011 0.59648117 1.0 Y Y1 1 0.46875524 0.00000077 0.40351518 1.0 Y Y2 1 -0.00000012 0.53123821 0.59648232 1.0 Y Y3 1 0.46874994 -0.00000002 0.09649281 1.0 Y Y4 1 0.00000092 0.53124473 0.90351033 1.0 Y Y5 1 -0.00000005 0.46875451 0.40351503 1.0 Y Y6 1 0.53124390 0.00000040 0.90351090 1.0 Y Y7 1 0.00000012 0.46874767 0.09649439 1.0 Y Y8 1 0.46876215 0.46876287 0.59648161 1.0 Y Y9 1 0.53124611 0.53124607 0.40351436 1.0 Y Y10 1 0.53125200 0.53125170 0.09649324 1.0 Y Y11 1 0.46875537 0.46875528 0.90351042 1.0 Ta Ta12 1 -0.00000028 0.00000142 0.50000000 1.0 Ta Ta13 1 0.00000122 -0.00000026 -0.00000038 1.0 Ta Ta14 1 0.72646592 -0.00000022 0.74999363 1.0 Ta Ta15 1 0.27353230 0.00000243 0.25000467 1.0 Ta Ta16 1 0.00000718 0.72647551 0.74999414 1.0 Ta Ta17 1 -0.00000663 0.27351988 0.25000546 1.0 Ta Ta18 1 0.27353321 0.27352641 0.74999476 1.0 Ta Ta19 1 0.72646756 0.72647085 0.25000380 1.0 Al Al20 1 0.15346811 0.59733595 0.75000958 1.0 Al Al21 1 0.84652103 0.40266123 0.24999103 1.0 Al Al22 1 0.40265779 0.55613135 0.75000892 1.0 Al Al23 1 0.59733594 0.15347083 0.75000925 1.0 Al Al24 1 0.59733842 0.44385968 0.24999041 1.0 Al Al25 1 0.40266175 0.84651957 0.24999105 1.0 Al Al26 1 0.44386532 0.84652785 0.75000932 1.0 Al Al27 1 0.55613174 0.40266384 0.75000877 1.0 Al Al28 1 0.55614316 0.15348191 0.24999115 1.0 Al Al29 1 0.44386202 0.59734007 0.24999171 1.0 Al Al30 1 0.84652571 0.44386858 0.75000906 1.0 Al Al31 1 0.15348411 0.55613959 0.24999139 1.0 Al Al32 1 0.15897761 0.00000054 0.11530473 1.0 Al Al33 1 0.84100969 0.00000016 0.88470410 1.0 Al Al34 1 0.00000033 0.15898552 0.11529881 1.0 Al Al35 1 0.84102000 0.00000005 0.61528236 1.0 Al Al36 1 0.99999827 0.15897361 0.38471475 1.0 Al Al37 1 0.00000092 0.84100885 0.88470375 1.0 Al Al38 1 0.15897714 0.00000284 0.38471495 1.0 Al Al39 1 0.00000012 0.84101995 0.61528433 1.0 Al Al40 1 0.84101556 0.84101500 0.11529707 1.0 Al Al41 1 0.15899136 0.15899070 0.88470401 1.0 Al Al42 1 0.15898283 0.15898237 0.61528275 1.0 Al Al43 1 0.84102353 0.84102441 0.38471361 1.0 Al Al44 1 0.24738993 0.49478536 0.49999075 1.0 Al Al45 1 0.75260345 0.50521505 0.49999145 1.0 Al Al46 1 0.50521457 0.75260365 0.49999116 1.0 Al Al47 1 0.75260529 0.50521721 0.00001022 1.0 Al Al48 1 0.49478193 0.24738807 0.00000981 1.0 Al Al49 1 0.49478678 0.24739031 0.49999142 1.0 Al Al50 1 0.24738752 0.49478140 0.00000995 1.0 Al Al51 1 0.50520969 0.75260051 0.00000974 1.0 Al Al52 1 0.24739616 0.75260958 0.49999125 1.0 Al Al53 1 0.75261061 0.24739834 0.49999129 1.0 Al Al54 1 0.75261213 0.24739495 0.00001020 1.0 Al Al55 1 0.24739575 0.75261069 0.00000998 1.0 Al Al56 1 0.14794500 -0.00000024 0.75000816 1.0 Al Al57 1 0.85205338 0.00000142 0.24999006 1.0 Al Al58 1 -0.00000003 0.14794536 0.75000877 1.0 Al Al59 1 0.00000071 0.85205472 0.24999131 1.0 Al Al60 1 0.85205516 0.85205437 0.75000943 1.0 Al Al61 1 0.14794974 0.14795016 0.24999172 1.0 Al Al62 1 0.33333520 0.66666642 0.62473375 1.0 Al Al63 1 0.66666723 0.33333460 0.37525523 1.0 Al Al64 1 0.66666711 0.33333524 0.12473653 1.0 Al Al65 1 0.66666624 0.33333210 0.87527722 1.0 Al Al66 1 0.33333352 0.66666579 0.87527696 1.0 Al Al67 1 0.33333315 0.66666731 0.12473633 1.0 Al Al68 1 0.33333379 0.66666796 0.37525503 1.0 Al Al69 1 0.66666709 0.33333227 0.62473364 1.0 Al Al70 1 0.25469011 0.99999967 0.52968977 1.0 Al Al71 1 0.74530039 -0.00000593 0.47030235 1.0 Al Al72 1 0.00000101 0.25469334 0.52969312 1.0 Al Al73 1 0.74530602 -0.00000030 0.02969662 1.0 Al Al74 1 0.99999960 0.25469549 0.97030771 1.0 Al Al75 1 -0.00000034 0.74530760 0.47030162 1.0 Al Al76 1 0.25469543 0.99999936 0.97030686 1.0 Al Al77 1 0.00000123 0.74530422 0.02969540 1.0 Al Al78 1 0.74530974 0.74531067 0.52968931 1.0 Al Al79 1 0.25469392 0.25469965 0.47030108 1.0 Al Al80 1 0.25469467 0.25469478 0.02969704 1.0 Al Al81 1 0.74530510 0.74530350 0.97030717 1.0 Al Al82 1 0.15810537 0.39475600 0.66282059 1.0 Al Al83 1 0.84189216 0.60524274 0.33717705 1.0 Al Al84 1 0.60524927 0.76334642 0.66282182 1.0 Al Al85 1 0.84189875 0.60525928 0.16281354 1.0 Al Al86 1 0.39474100 0.15810447 0.83718770 1.0 Al Al87 1 0.39475522 0.23665363 0.33717575 1.0 Al Al88 1 0.15810255 0.39474223 0.83718927 1.0 Al Al89 1 0.60526179 0.84189678 0.16281243 1.0 Al Al90 1 0.23664608 0.84188798 0.66281992 1.0 Al Al91 1 0.39473801 0.23663785 0.16281184 1.0 Al Al92 1 0.76336125 0.60526032 0.83719001 1.0 Al Al93 1 0.76335009 0.15810253 0.33717625 1.0 Al Al94 1 0.60525797 0.76335978 0.83718940 1.0 Al Al95 1 0.23663883 0.39474075 0.16281103 1.0 Al Al96 1 0.60524457 0.84189145 0.33717568 1.0 Al Al97 1 0.39475401 0.15810602 0.66282193 1.0 Al Al98 1 0.76336591 0.15810437 0.16281213 1.0 Al Al99 1 0.23664961 0.39475926 0.33717965 1.0 Al Al100 1 0.23663712 0.84189696 0.83718774 1.0 Al Al101 1 0.76335073 0.60524100 0.66281807 1.0 Al Al102 1 0.84189830 0.23664048 0.83718905 1.0 Al Al103 1 0.15810183 0.76336081 0.16281390 1.0 Al Al104 1 0.15810125 0.76334760 0.33717799 1.0 Al Al105 1 0.84190231 0.23665388 0.66282216 1.0