# generated using pymatgen data_Tb6Nb4Al43 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.04252825 _cell_length_b 11.04251012 _cell_length_c 17.79252991 _cell_angle_alpha 90.00000385 _cell_angle_beta 90.00003642 _cell_angle_gamma 119.99998319 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb6Nb4Al43 _chemical_formula_sum 'Tb12 Nb8 Al86' _cell_volume 1878.90462164 _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 Tb Tb0 1 0.53062873 -0.00000012 0.59601881 1.0 Tb Tb1 1 0.46936895 -0.00000047 0.40395783 1.0 Tb Tb2 1 0.99999987 0.53062967 0.59601895 1.0 Tb Tb3 1 0.46937162 0.99999966 0.09602232 1.0 Tb Tb4 1 -0.00000068 0.53062740 0.90399912 1.0 Tb Tb5 1 -0.00000086 0.46936823 0.40395797 1.0 Tb Tb6 1 0.53062584 -0.00000025 0.90399951 1.0 Tb Tb7 1 -0.00000051 0.46937081 0.09602219 1.0 Tb Tb8 1 0.46937029 0.46937070 0.59601819 1.0 Tb Tb9 1 0.53063136 0.53063137 0.40395731 1.0 Tb Tb10 1 0.53062870 0.53062867 0.09602262 1.0 Tb Tb11 1 0.46937294 0.46937316 0.90400009 1.0 Nb Nb12 1 0.00000079 0.00000095 0.49998608 1.0 Nb Nb13 1 0.00000048 0.00000045 0.00001282 1.0 Nb Nb14 1 0.72658524 -0.00000158 0.75001043 1.0 Nb Nb15 1 0.27341670 -0.00000123 0.24998806 1.0 Nb Nb16 1 -0.00000051 0.72658203 0.75000981 1.0 Nb Nb17 1 -0.00000031 0.27341608 0.24998786 1.0 Nb Nb18 1 0.27341717 0.27341715 0.75000995 1.0 Nb Nb19 1 0.72658348 0.72658340 0.24998759 1.0 Al Al20 1 0.15325429 0.59708602 0.75001316 1.0 Al Al21 1 0.84674393 0.40291341 0.24998674 1.0 Al Al22 1 0.40290749 0.55616524 0.75001402 1.0 Al Al23 1 0.59709263 0.15325979 0.75001447 1.0 Al Al24 1 0.59708737 0.44383037 0.24998644 1.0 Al Al25 1 0.40291257 0.84674098 0.24998668 1.0 Al Al26 1 0.44383434 0.84674093 0.75001373 1.0 Al Al27 1 0.55616795 0.40291453 0.75001342 1.0 Al Al28 1 0.55616672 0.15326066 0.24998608 1.0 Al Al29 1 0.44382890 0.59708636 0.24998636 1.0 Al Al30 1 0.84674368 0.44383182 0.75001349 1.0 Al Al31 1 0.15325647 0.55616849 0.24998630 1.0 Al Al32 1 0.15894472 -0.00000045 0.11525564 1.0 Al Al33 1 0.84105830 0.00000114 0.88475442 1.0 Al Al34 1 0.00000007 0.15894419 0.11525533 1.0 Al Al35 1 0.84105236 -0.00000063 0.61526703 1.0 Al Al36 1 -0.00000141 0.15895357 0.38472547 1.0 Al Al37 1 0.00000062 0.84105920 0.88475430 1.0 Al Al38 1 0.15895534 -0.00000011 0.38472554 1.0 Al Al39 1 -0.00000114 0.84105328 0.61526729 1.0 Al Al40 1 0.84105561 0.84105627 0.11525537 1.0 Al Al41 1 0.15894065 0.15894095 0.88475428 1.0 Al Al42 1 0.15894687 0.15894731 0.61526718 1.0 Al Al43 1 0.84104728 0.84104826 0.38472419 1.0 Al Al44 1 0.24751114 0.49502487 0.49998918 1.0 Al Al45 1 0.75248742 0.50497394 0.49998863 1.0 Al Al46 1 0.50497368 0.75248739 0.49998721 1.0 Al Al47 1 0.75248929 0.50497777 0.00001309 1.0 Al Al48 1 0.49502292 0.24751119 0.00001303 1.0 Al Al49 1 0.49502630 0.24751247 0.49998773 1.0 Al Al50 1 0.24750947 0.49502206 0.00000993 1.0 Al Al51 1 0.50497740 0.75248861 0.00001099 1.0 Al Al52 1 0.24751385 0.75249003 0.49999127 1.0 Al Al53 1 0.75249048 0.24751436 0.49999161 1.0 Al Al54 1 0.75249207 0.24751293 0.00000781 1.0 Al Al55 1 0.24751246 0.75249163 0.00000733 1.0 Al Al56 1 0.14780980 0.00000042 0.75000462 1.0 Al Al57 1 0.85218765 0.00000033 0.24999446 1.0 Al Al58 1 -0.00000050 0.14781073 0.75000499 1.0 Al Al59 1 0.00000140 0.85218761 0.24999410 1.0 Al Al60 1 0.85218999 0.85219098 0.75000484 1.0 Al Al61 1 0.14781267 0.14781156 0.24999443 1.0 Al Al62 1 0.33333388 0.66666571 0.62505428 1.0 Al Al63 1 0.66666455 0.33333081 0.37494583 1.0 Al Al64 1 0.66666816 0.33333093 0.12503087 1.0 Al Al65 1 0.66666418 0.33333507 0.87498399 1.0 Al Al66 1 0.33333291 0.66666541 0.87498278 1.0 Al Al67 1 0.33333134 0.66666555 0.12502941 1.0 Al Al68 1 0.33333102 0.66666449 0.37495262 1.0 Al Al69 1 0.66666473 0.33333360 0.62505451 1.0 Al Al70 1 0.25501628 -0.00000066 0.52966314 1.0 Al Al71 1 0.74498182 -0.00000083 0.47031919 1.0 Al Al72 1 -0.00000089 0.25501594 0.52966297 1.0 Al Al73 1 0.74498055 -0.00000067 0.02967428 1.0 Al Al74 1 -0.00000151 0.25501726 0.97034148 1.0 Al Al75 1 -0.00000062 0.74498253 0.47031960 1.0 Al Al76 1 0.25501779 -0.00000061 0.97034204 1.0 Al Al77 1 -0.00000056 0.74498085 0.02967439 1.0 Al Al78 1 0.74498516 0.74498611 0.52966254 1.0 Al Al79 1 0.25502319 0.25501941 0.47032012 1.0 Al Al80 1 0.25501879 0.25501940 0.02967430 1.0 Al Al81 1 0.74498482 0.74498473 0.97034013 1.0 Al Al82 1 0.15813696 0.39464698 0.66280707 1.0 Al Al83 1 0.84186612 0.60535236 0.33718193 1.0 Al Al84 1 0.60535349 0.76348901 0.66280663 1.0 Al Al85 1 0.84186461 0.60533885 0.16279098 1.0 Al Al86 1 0.39466084 0.15813829 0.83721536 1.0 Al Al87 1 0.39464952 0.23651225 0.33718248 1.0 Al Al88 1 0.15813814 0.39466146 0.83721561 1.0 Al Al89 1 0.60533879 0.84186434 0.16279136 1.0 Al Al90 1 0.23651010 0.84186335 0.66280749 1.0 Al Al91 1 0.39466111 0.23652498 0.16279115 1.0 Al Al92 1 0.76347605 0.60534041 0.83721513 1.0 Al Al93 1 0.76348717 0.15813689 0.33718256 1.0 Al Al94 1 0.60533854 0.76347677 0.83721528 1.0 Al Al95 1 0.23652532 0.39465916 0.16279130 1.0 Al Al96 1 0.60534986 0.84186327 0.33718218 1.0 Al Al97 1 0.39464720 0.15813739 0.66280731 1.0 Al Al98 1 0.76347455 0.15813389 0.16279159 1.0 Al Al99 1 0.23651333 0.39464643 0.33718131 1.0 Al Al100 1 0.23652386 0.84186277 0.83721425 1.0 Al Al101 1 0.76348867 0.60535416 0.66280684 1.0 Al Al102 1 0.84186022 0.23652393 0.83721542 1.0 Al Al103 1 0.15813741 0.76347510 0.16279044 1.0 Al Al104 1 0.15813804 0.76348708 0.33718297 1.0 Al Al105 1 0.84186311 0.23651031 0.66280724 1.0