# generated using pymatgen data_Er6Nb4Al43 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.00978455 _cell_length_b 11.00979333 _cell_length_c 17.70274183 _cell_angle_alpha 90.00006864 _cell_angle_beta 89.99996452 _cell_angle_gamma 120.00005884 _symmetry_Int_Tables_number 1 _chemical_formula_structural Er6Nb4Al43 _chemical_formula_sum 'Er12 Nb8 Al86' _cell_volume 1858.35592729 _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 Er Er0 1 0.53116544 0.00000021 0.59612542 1.0 Er Er1 1 0.46883430 0.00000020 0.40387079 1.0 Er Er2 1 0.00000091 0.53116609 0.59612513 1.0 Er Er3 1 0.46883881 0.99999992 0.09612682 1.0 Er Er4 1 0.00000003 0.53116368 0.90387634 1.0 Er Er5 1 0.00000036 0.46883421 0.40387043 1.0 Er Er6 1 0.53116368 0.00000040 0.90387714 1.0 Er Er7 1 0.00000059 0.46883896 0.09612633 1.0 Er Er8 1 0.46883549 0.46883578 0.59612511 1.0 Er Er9 1 0.53116730 0.53116779 0.40387059 1.0 Er Er10 1 0.53116216 0.53116269 0.09612620 1.0 Er Er11 1 0.46883666 0.46883700 0.90387561 1.0 Nb Nb12 1 0.00000204 0.00000183 0.49999773 1.0 Nb Nb13 1 0.00000078 0.00000019 0.00000111 1.0 Nb Nb14 1 0.72590665 0.00000045 0.74999976 1.0 Nb Nb15 1 0.27409880 0.00000092 0.25000094 1.0 Nb Nb16 1 0.00000140 0.72590403 0.74999879 1.0 Nb Nb17 1 0.00000154 0.27409880 0.25000062 1.0 Nb Nb18 1 0.27409710 0.27409600 0.75000018 1.0 Nb Nb19 1 0.72589714 0.72589831 0.25000371 1.0 Al Al20 1 0.15321227 0.59684157 0.74999997 1.0 Al Al21 1 0.84678099 0.40315379 0.24999902 1.0 Al Al22 1 0.40315079 0.55637422 0.74999934 1.0 Al Al23 1 0.59684643 0.15321651 0.75000025 1.0 Al Al24 1 0.59684144 0.44362758 0.24999919 1.0 Al Al25 1 0.40315705 0.84678457 0.25000021 1.0 Al Al26 1 0.44362689 0.84677922 0.75000162 1.0 Al Al27 1 0.55637154 0.40315307 0.74999847 1.0 Al Al28 1 0.55636588 0.15321532 0.25000017 1.0 Al Al29 1 0.44362911 0.59684492 0.24999937 1.0 Al Al30 1 0.84677856 0.44362720 0.74999847 1.0 Al Al31 1 0.15321748 0.55637340 0.24999931 1.0 Al Al32 1 0.15925876 -0.00000010 0.11511128 1.0 Al Al33 1 0.84074517 0.00000104 0.88489924 1.0 Al Al34 1 -0.00000117 0.15925915 0.11511072 1.0 Al Al35 1 0.84075199 0.00000141 0.61510358 1.0 Al Al36 1 -0.00000071 0.15925695 0.38489122 1.0 Al Al37 1 0.00000013 0.84074145 0.88490022 1.0 Al Al38 1 0.15926337 0.00000116 0.38489415 1.0 Al Al39 1 -0.00000028 0.84074757 0.61510372 1.0 Al Al40 1 0.84074270 0.84074235 0.11510976 1.0 Al Al41 1 0.15925800 0.15925645 0.88489871 1.0 Al Al42 1 0.15925346 0.15925408 0.61510359 1.0 Al Al43 1 0.84074526 0.84074550 0.38489174 1.0 Al Al44 1 0.24742691 0.49485329 0.50000155 1.0 Al Al45 1 0.75257282 0.50514832 0.50000095 1.0 Al Al46 1 0.50514871 0.75257275 0.50000095 1.0 Al Al47 1 0.75257316 0.50514975 -0.00000224 1.0 Al Al48 1 0.49485082 0.24742565 -0.00000177 1.0 Al Al49 1 0.49484998 0.24742603 0.49999704 1.0 Al Al50 1 0.24742558 0.49485114 -0.00000151 1.0 Al Al51 1 0.50515050 0.75257611 -0.00000098 1.0 Al Al52 1 0.24742886 0.75257581 0.49999998 1.0 Al Al53 1 0.75257590 0.24742842 0.50000089 1.0 Al Al54 1 0.75257700 0.24742668 -0.00000264 1.0 Al Al55 1 0.24742773 0.75257598 -0.00000238 1.0 Al Al56 1 0.14840580 0.00000111 0.75000380 1.0 Al Al57 1 0.85159934 0.00000033 0.24999781 1.0 Al Al58 1 0.00000156 0.14840607 0.75000366 1.0 Al Al59 1 -0.00000077 0.85159372 0.24999697 1.0 Al Al60 1 0.85159674 0.85159718 0.75000383 1.0 Al Al61 1 0.14840471 0.14840531 0.24999649 1.0 Al Al62 1 0.33332948 0.66665909 0.62456364 1.0 Al Al63 1 0.66666788 0.33333465 0.37543563 1.0 Al Al64 1 0.66666742 0.33333085 0.12456203 1.0 Al Al65 1 0.66666691 0.33333377 0.87543876 1.0 Al Al66 1 0.33331897 0.66665177 0.87543268 1.0 Al Al67 1 0.33333668 0.66666874 0.12456295 1.0 Al Al68 1 0.33333424 0.66666682 0.37543556 1.0 Al Al69 1 0.66665129 0.33331821 0.62456543 1.0 Al Al70 1 0.25610917 0.00000075 0.52947468 1.0 Al Al71 1 0.74388763 0.00000046 0.47052493 1.0 Al Al72 1 0.00000156 0.25610911 0.52947354 1.0 Al Al73 1 0.74389045 0.00000051 0.02947673 1.0 Al Al74 1 0.00000060 0.25610993 0.97052231 1.0 Al Al75 1 0.00000094 0.74389399 0.47052119 1.0 Al Al76 1 0.25611161 0.99999945 0.97052426 1.0 Al Al77 1 0.00000133 0.74388867 0.02947660 1.0 Al Al78 1 0.74388661 0.74388604 0.52947609 1.0 Al Al79 1 0.25610607 0.25610838 0.47052079 1.0 Al Al80 1 0.25611799 0.25611812 0.02948005 1.0 Al Al81 1 0.74388961 0.74388962 0.97052315 1.0 Al Al82 1 0.15808631 0.39516047 0.66209462 1.0 Al Al83 1 0.84191557 0.60484179 0.33790476 1.0 Al Al84 1 0.60484247 0.76292873 0.66209461 1.0 Al Al85 1 0.84190700 0.60483782 0.16209176 1.0 Al Al86 1 0.39516020 0.15809135 0.83790949 1.0 Al Al87 1 0.39515854 0.23707627 0.33790282 1.0 Al Al88 1 0.15808960 0.39516033 0.83790860 1.0 Al Al89 1 0.60484251 0.84191229 0.16209767 1.0 Al Al90 1 0.23707340 0.84191470 0.66209527 1.0 Al Al91 1 0.39516164 0.23706779 0.16209412 1.0 Al Al92 1 0.76292812 0.60483928 0.83790679 1.0 Al Al93 1 0.76292473 0.15808495 0.33790337 1.0 Al Al94 1 0.60484086 0.76293217 0.83790755 1.0 Al Al95 1 0.23706751 0.39516204 0.16209419 1.0 Al Al96 1 0.60484268 0.84191497 0.33790353 1.0 Al Al97 1 0.39515905 0.15808649 0.66209378 1.0 Al Al98 1 0.76292817 0.15808716 0.16209800 1.0 Al Al99 1 0.23707462 0.39515966 0.33790293 1.0 Al Al100 1 0.23707021 0.84190989 0.83790776 1.0 Al Al101 1 0.76292615 0.60484242 0.66209506 1.0 Al Al102 1 0.84190980 0.23707063 0.83790826 1.0 Al Al103 1 0.15809367 0.76293123 0.16209415 1.0 Al Al104 1 0.15808361 0.76292406 0.33790320 1.0 Al Al105 1 0.84191553 0.23707413 0.66209326 1.0