# generated using pymatgen data_Er6Ta4Al43 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.99987483 _cell_length_b 10.99986579 _cell_length_c 17.69455373 _cell_angle_alpha 89.99994641 _cell_angle_beta 90.00015419 _cell_angle_gamma 120.00032525 _symmetry_Int_Tables_number 1 _chemical_formula_structural Er6Ta4Al43 _chemical_formula_sum 'Er12 Ta8 Al86' _cell_volume 1854.14609815 _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 0.53131666 -0.00000054 0.59647223 1.0 Er Er1 1 0.46867993 -0.00000147 0.40352468 1.0 Er Er2 1 -0.00000062 0.53131972 0.59647414 1.0 Er Er3 1 0.46867941 -0.00000257 0.09647708 1.0 Er Er4 1 0.00000032 0.53132075 0.90352476 1.0 Er Er5 1 0.00000221 0.46867932 0.40352485 1.0 Er Er6 1 0.53131863 -0.00000101 0.90352576 1.0 Er Er7 1 -0.00000147 0.46867924 0.09647674 1.0 Er Er8 1 0.46868340 0.46868391 0.59647241 1.0 Er Er9 1 0.53132321 0.53132173 0.40352381 1.0 Er Er10 1 0.53131996 0.53132147 0.09647726 1.0 Er Er11 1 0.46868186 0.46868321 0.90352542 1.0 Ta Ta12 1 0.00000379 0.00000137 0.50000128 1.0 Ta Ta13 1 -0.00000262 -0.00000325 0.00000031 1.0 Ta Ta14 1 0.72582906 0.00000189 0.74999193 1.0 Ta Ta15 1 0.27417488 0.00000165 0.25001037 1.0 Ta Ta16 1 -0.00000430 0.72582526 0.74999338 1.0 Ta Ta17 1 -0.00000147 0.27417362 0.25000856 1.0 Ta Ta18 1 0.27417493 0.27417124 0.74999171 1.0 Ta Ta19 1 0.72582820 0.72582834 0.25000644 1.0 Al Al20 1 0.15318876 0.59679171 0.74999931 1.0 Al Al21 1 0.84681325 0.40321238 0.24999756 1.0 Al Al22 1 0.40321055 0.55639870 0.75000223 1.0 Al Al23 1 0.59678645 0.15318277 0.74999942 1.0 Al Al24 1 0.59678971 0.44360299 0.24999788 1.0 Al Al25 1 0.40321140 0.84681618 0.24999933 1.0 Al Al26 1 0.44360091 0.84681299 0.74999721 1.0 Al Al27 1 0.55639893 0.40320934 0.75000237 1.0 Al Al28 1 0.55639420 0.15318115 0.25000002 1.0 Al Al29 1 0.44360469 0.59679170 0.24999794 1.0 Al Al30 1 0.84681016 0.44360281 0.74999954 1.0 Al Al31 1 0.15318960 0.55640128 0.24999818 1.0 Al Al32 1 0.15931512 0.00000046 0.11515135 1.0 Al Al33 1 0.84068584 -0.00000159 0.88485106 1.0 Al Al34 1 0.00000091 0.15931316 0.11515232 1.0 Al Al35 1 0.84068918 -0.00000287 0.61514458 1.0 Al Al36 1 0.00000177 0.15930725 0.38485389 1.0 Al Al37 1 0.00000107 0.84068774 0.88485020 1.0 Al Al38 1 0.15930804 -0.00000102 0.38485702 1.0 Al Al39 1 -0.00000231 0.84068674 0.61514408 1.0 Al Al40 1 0.84069025 0.84069006 0.11515294 1.0 Al Al41 1 0.15931667 0.15931396 0.88485134 1.0 Al Al42 1 0.15930828 0.15930741 0.61514445 1.0 Al Al43 1 0.84069497 0.84069146 0.38485445 1.0 Al Al44 1 0.24735815 0.49471420 0.50000652 1.0 Al Al45 1 0.75264197 0.50528428 0.50000703 1.0 Al Al46 1 0.50528173 0.75264410 0.50000240 1.0 Al Al47 1 0.75264186 0.50528983 -0.00000367 1.0 Al Al48 1 0.49471552 0.24736159 -0.00000196 1.0 Al Al49 1 0.49470739 0.24734871 0.50000039 1.0 Al Al50 1 0.24735592 0.49471411 -0.00000576 1.0 Al Al51 1 0.50529547 0.75264326 -0.00000150 1.0 Al Al52 1 0.24735675 0.75264385 0.50000305 1.0 Al Al53 1 0.75264193 0.24735355 0.50000333 1.0 Al Al54 1 0.75264735 0.24735709 -0.00000391 1.0 Al Al55 1 0.24735362 0.75264277 -0.00000412 1.0 Al Al56 1 0.14838123 0.00000419 0.74999769 1.0 Al Al57 1 0.85161573 -0.00000680 0.25000007 1.0 Al Al58 1 -0.00000518 0.14837561 0.74999820 1.0 Al Al59 1 -0.00000815 0.85161513 0.24999962 1.0 Al Al60 1 0.85162268 0.85162238 0.74999830 1.0 Al Al61 1 0.14836639 0.14836526 0.24999883 1.0 Al Al62 1 0.33333414 0.66666637 0.62450333 1.0 Al Al63 1 0.66666801 0.33333507 0.37549357 1.0 Al Al64 1 0.66666655 0.33333235 0.12450171 1.0 Al Al65 1 0.66666529 0.33333213 0.87550152 1.0 Al Al66 1 0.33333383 0.66666923 0.87550136 1.0 Al Al67 1 0.33333404 0.66666872 0.12450110 1.0 Al Al68 1 0.33333284 0.66666693 0.37549363 1.0 Al Al69 1 0.66666676 0.33333429 0.62450256 1.0 Al Al70 1 0.25564535 -0.00000146 0.52949642 1.0 Al Al71 1 0.74436773 -0.00000302 0.47050496 1.0 Al Al72 1 0.00000053 0.25564993 0.52950235 1.0 Al Al73 1 0.74437027 0.00000020 0.02949420 1.0 Al Al74 1 0.00000044 0.25565005 0.97050015 1.0 Al Al75 1 -0.00000278 0.74436464 0.47050438 1.0 Al Al76 1 0.25564346 -0.00000015 0.97050257 1.0 Al Al77 1 0.00000270 0.74437055 0.02949526 1.0 Al Al78 1 0.74435580 0.74435501 0.52949992 1.0 Al Al79 1 0.25563891 0.25563912 0.47050368 1.0 Al Al80 1 0.25563187 0.25563059 0.02949548 1.0 Al Al81 1 0.74435052 0.74434818 0.97050180 1.0 Al Al82 1 0.15822810 0.39513480 0.66222181 1.0 Al Al83 1 0.84178019 0.60486860 0.33777713 1.0 Al Al84 1 0.60486537 0.76309070 0.66222375 1.0 Al Al85 1 0.84177154 0.60487085 0.16222159 1.0 Al Al86 1 0.39513107 0.15822905 0.83777918 1.0 Al Al87 1 0.39513406 0.23690877 0.33777743 1.0 Al Al88 1 0.15823278 0.39513421 0.83777901 1.0 Al Al89 1 0.60487194 0.84176999 0.16222011 1.0 Al Al90 1 0.23690694 0.84177409 0.66222252 1.0 Al Al91 1 0.39513132 0.23690245 0.16222031 1.0 Al Al92 1 0.76309738 0.60486887 0.83777786 1.0 Al Al93 1 0.76309166 0.15822621 0.33777703 1.0 Al Al94 1 0.60486703 0.76310005 0.83777936 1.0 Al Al95 1 0.23690415 0.39513389 0.16222190 1.0 Al Al96 1 0.60486988 0.84177553 0.33777925 1.0 Al Al97 1 0.39513541 0.15822814 0.66222299 1.0 Al Al98 1 0.76309677 0.15822499 0.16222169 1.0 Al Al99 1 0.23690943 0.39513642 0.33777982 1.0 Al Al100 1 0.23690136 0.84177083 0.83777846 1.0 Al Al101 1 0.76309134 0.60486709 0.66222211 1.0 Al Al102 1 0.84176656 0.23690018 0.83778034 1.0 Al Al103 1 0.15822653 0.76309883 0.16222145 1.0 Al Al104 1 0.15822320 0.76309339 0.33777961 1.0 Al Al105 1 0.84177300 0.23690759 0.66222310 1.0