# generated using pymatgen data_Y6Nb4Al43 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.04224199 _cell_length_b 11.04224449 _cell_length_c 17.79120207 _cell_angle_alpha 89.99997477 _cell_angle_beta 90.00003129 _cell_angle_gamma 120.00000878 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y6Nb4Al43 _chemical_formula_sum 'Y12 Nb8 Al86' _cell_volume 1878.67001822 _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 0.53104407 0.00000026 0.59619015 1.0 Y Y1 1 0.46896041 -0.00000047 0.40382756 1.0 Y Y2 1 -0.00000021 0.53104426 0.59619024 1.0 Y Y3 1 0.46895800 -0.00000045 0.09617431 1.0 Y Y4 1 -0.00000026 0.53104680 0.90380807 1.0 Y Y5 1 -0.00000059 0.46895920 0.40382725 1.0 Y Y6 1 0.53104611 -0.00000004 0.90380810 1.0 Y Y7 1 0.00000048 0.46895890 0.09617430 1.0 Y Y8 1 0.46895466 0.46895510 0.59619015 1.0 Y Y9 1 0.53103972 0.53103901 0.40382703 1.0 Y Y10 1 0.53104157 0.53104130 0.09617434 1.0 Y Y11 1 0.46895343 0.46895353 0.90380818 1.0 Nb Nb12 1 -0.00000026 -0.00000000 0.50000523 1.0 Nb Nb13 1 0.00000035 0.00000075 -0.00000484 1.0 Nb Nb14 1 0.72657470 -0.00000028 0.75000124 1.0 Nb Nb15 1 0.27342544 -0.00000092 0.24999926 1.0 Nb Nb16 1 -0.00000002 0.72657578 0.75000129 1.0 Nb Nb17 1 -0.00000032 0.27342552 0.24999874 1.0 Nb Nb18 1 0.27342557 0.27342589 0.75000138 1.0 Nb Nb19 1 0.72657299 0.72657289 0.24999884 1.0 Al Al20 1 0.15365895 0.59740169 0.74999478 1.0 Al Al21 1 0.84634193 0.40259849 0.25000502 1.0 Al Al22 1 0.40259780 0.55625762 0.74999474 1.0 Al Al23 1 0.59740131 0.15366049 0.74999488 1.0 Al Al24 1 0.59740069 0.44374324 0.25000492 1.0 Al Al25 1 0.40260023 0.84634098 0.25000558 1.0 Al Al26 1 0.44373985 0.84633941 0.74999472 1.0 Al Al27 1 0.55625712 0.40259842 0.74999485 1.0 Al Al28 1 0.55625953 0.15365790 0.25000505 1.0 Al Al29 1 0.44374340 0.59740126 0.25000510 1.0 Al Al30 1 0.84633977 0.44374091 0.74999471 1.0 Al Al31 1 0.15365854 0.55625735 0.25000506 1.0 Al Al32 1 0.15900320 0.00000001 0.11522349 1.0 Al Al33 1 0.84099233 -0.00000035 0.88477054 1.0 Al Al34 1 0.00000064 0.15900414 0.11522347 1.0 Al Al35 1 0.84099365 -0.00000017 0.61522046 1.0 Al Al36 1 -0.00000000 0.15900362 0.38478578 1.0 Al Al37 1 -0.00000142 0.84099257 0.88477084 1.0 Al Al38 1 0.15900263 -0.00000058 0.38478592 1.0 Al Al39 1 -0.00000125 0.84099400 0.61522055 1.0 Al Al40 1 0.84099574 0.84099572 0.11522308 1.0 Al Al41 1 0.15900548 0.15900609 0.88477107 1.0 Al Al42 1 0.15900565 0.15900596 0.61521997 1.0 Al Al43 1 0.84099669 0.84099639 0.38478610 1.0 Al Al44 1 0.24748591 0.49496973 0.50000494 1.0 Al Al45 1 0.75251615 0.50503063 0.50000500 1.0 Al Al46 1 0.50502992 0.75251556 0.50000500 1.0 Al Al47 1 0.75251383 0.50502635 -0.00000550 1.0 Al Al48 1 0.49497450 0.24748879 -0.00000520 1.0 Al Al49 1 0.49496951 0.24748635 0.50000505 1.0 Al Al50 1 0.24748832 0.49497478 -0.00000515 1.0 Al Al51 1 0.50502564 0.75251377 -0.00000557 1.0 Al Al52 1 0.24748416 0.75251354 0.50000530 1.0 Al Al53 1 0.75251361 0.24748400 0.50000494 1.0 Al Al54 1 0.75251162 0.24748741 -0.00000557 1.0 Al Al55 1 0.24748664 0.75251144 -0.00000557 1.0 Al Al56 1 0.14777491 -0.00000170 0.74999486 1.0 Al Al57 1 0.85222472 0.00000147 0.25000570 1.0 Al Al58 1 -0.00000244 0.14777580 0.74999475 1.0 Al Al59 1 0.00000134 0.85222404 0.25000566 1.0 Al Al60 1 0.85222049 0.85222236 0.74999476 1.0 Al Al61 1 0.14777864 0.14777655 0.25000540 1.0 Al Al62 1 0.33333241 0.66666654 0.62494986 1.0 Al Al63 1 0.66666718 0.33333369 0.37505603 1.0 Al Al64 1 0.66666773 0.33333361 0.12495275 1.0 Al Al65 1 0.66666648 0.33333334 0.87504076 1.0 Al Al66 1 0.33333234 0.66666646 0.87504073 1.0 Al Al67 1 0.33333337 0.66666668 0.12495270 1.0 Al Al68 1 0.33333289 0.66666634 0.37505615 1.0 Al Al69 1 0.66666615 0.33333313 0.62494990 1.0 Al Al70 1 0.25508483 0.00000039 0.52971403 1.0 Al Al71 1 0.74491605 -0.00000026 0.47028935 1.0 Al Al72 1 0.00000008 0.25508519 0.52971364 1.0 Al Al73 1 0.74491666 0.00000684 0.02971091 1.0 Al Al74 1 0.00000043 0.25508607 0.97028464 1.0 Al Al75 1 0.00000637 0.74491753 0.47029163 1.0 Al Al76 1 0.25508533 0.00000031 0.97028443 1.0 Al Al77 1 0.00000671 0.74491660 0.02971106 1.0 Al Al78 1 0.74491513 0.74491489 0.52971365 1.0 Al Al79 1 0.25508331 0.25508333 0.47028898 1.0 Al Al80 1 0.25508440 0.25508452 0.02971285 1.0 Al Al81 1 0.74491808 0.74492156 0.97028492 1.0 Al Al82 1 0.15789240 0.39460606 0.66279852 1.0 Al Al83 1 0.84210684 0.60539399 0.33720542 1.0 Al Al84 1 0.60539314 0.76328635 0.66279805 1.0 Al Al85 1 0.84210826 0.60539905 0.16280279 1.0 Al Al86 1 0.39460117 0.15789228 0.83719351 1.0 Al Al87 1 0.39460815 0.23670957 0.33720481 1.0 Al Al88 1 0.15789114 0.39460122 0.83719349 1.0 Al Al89 1 0.60539838 0.84210765 0.16280300 1.0 Al Al90 1 0.23671198 0.84210671 0.66279847 1.0 Al Al91 1 0.39460376 0.23670516 0.16280257 1.0 Al Al92 1 0.76328934 0.60539846 0.83719378 1.0 Al Al93 1 0.76328751 0.15789337 0.33720542 1.0 Al Al94 1 0.60539773 0.76329004 0.83719378 1.0 Al Al95 1 0.23670965 0.39460112 0.16280227 1.0 Al Al96 1 0.60539338 0.84210610 0.33720556 1.0 Al Al97 1 0.39460590 0.15789275 0.66279900 1.0 Al Al98 1 0.76329142 0.15789205 0.16280289 1.0 Al Al99 1 0.23671329 0.39460546 0.33720560 1.0 Al Al100 1 0.23670827 0.84210770 0.83719336 1.0 Al Al101 1 0.76328575 0.60539375 0.66279826 1.0 Al Al102 1 0.84210835 0.23670945 0.83719370 1.0 Al Al103 1 0.15789622 0.76329342 0.16280343 1.0 Al Al104 1 0.15789191 0.76328620 0.33720596 1.0 Al Al105 1 0.84210733 0.23671331 0.66279811 1.0