# generated using pymatgen data_Lu(Al5Re)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.89270343 _cell_length_b 6.89270343 _cell_length_c 26.69222297 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 96.10817711 _symmetry_Int_Tables_number 1 _chemical_formula_structural Lu(Al5Re)2 _chemical_formula_sum 'Lu6 Al60 Re12' _cell_volume 1260.93097402 _cell_formula_units_Z 6 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 Lu Lu0 1 0.87534221 0.12465779 0.58464767 1.0 Lu Lu1 1 0.12465779 0.87534221 0.41535233 1.0 Lu Lu2 1 0.12465779 0.87534221 0.08464767 1.0 Lu Lu3 1 0.87534221 0.12465779 0.91535233 1.0 Lu Lu4 1 0.61725723 0.38274277 0.75000000 1.0 Lu Lu5 1 0.38274277 0.61725723 0.25000000 1.0 Al Al6 1 0.59690454 0.40309546 0.63356619 1.0 Al Al7 1 0.40309546 0.59690454 0.36643381 1.0 Al Al8 1 0.40309546 0.59690454 0.13356619 1.0 Al Al9 1 0.59690454 0.40309546 0.86643381 1.0 Al Al10 1 0.17750253 0.39989035 0.75000000 1.0 Al Al11 1 0.82249747 0.60010965 0.25000000 1.0 Al Al12 1 0.60010965 0.82249747 0.75000000 1.0 Al Al13 1 0.39989035 0.17750253 0.25000000 1.0 Al Al14 1 0.87539350 0.12460650 0.14567035 1.0 Al Al15 1 0.12460650 0.87539350 0.85432965 1.0 Al Al16 1 0.12460650 0.87539350 0.64567035 1.0 Al Al17 1 0.87539350 0.12460650 0.35432965 1.0 Al Al18 1 0.37004815 0.62995185 0.67841581 1.0 Al Al19 1 0.62995185 0.37004815 0.32158419 1.0 Al Al20 1 0.62995185 0.37004815 0.17841581 1.0 Al Al21 1 0.37004815 0.62995185 0.82158419 1.0 Al Al22 1 0.22777510 0.47083765 0.58083746 1.0 Al Al23 1 0.77222490 0.52916235 0.41916254 1.0 Al Al24 1 0.77222490 0.52916235 0.08083746 1.0 Al Al25 1 0.52916235 0.77222490 0.91916254 1.0 Al Al26 1 0.22777510 0.47083765 0.91916254 1.0 Al Al27 1 0.47083765 0.22777510 0.08083746 1.0 Al Al28 1 0.47083765 0.22777510 0.41916254 1.0 Al Al29 1 0.52916235 0.77222490 0.58083746 1.0 Al Al30 1 0.96348315 0.73803814 0.75000000 1.0 Al Al31 1 0.03651685 0.26196186 0.25000000 1.0 Al Al32 1 0.26196186 0.03651685 0.75000000 1.0 Al Al33 1 0.73803814 0.96348315 0.25000000 1.0 Al Al34 1 0.62259233 0.37740767 0.52225028 1.0 Al Al35 1 0.37740767 0.62259233 0.47774972 1.0 Al Al36 1 0.37740767 0.62259233 0.02225028 1.0 Al Al37 1 0.62259233 0.37740767 0.97774972 1.0 Al Al38 1 0.96766618 0.47355698 0.67120965 1.0 Al Al39 1 0.03233382 0.52644302 0.32879035 1.0 Al Al40 1 0.03233382 0.52644302 0.17120965 1.0 Al Al41 1 0.52644302 0.03233382 0.82879035 1.0 Al Al42 1 0.96766618 0.47355698 0.82879035 1.0 Al Al43 1 0.47355698 0.96766618 0.17120965 1.0 Al Al44 1 0.47355698 0.96766618 0.32879035 1.0 Al Al45 1 0.52644302 0.03233382 0.67120965 1.0 Al Al46 1 0.90675662 0.09324338 0.69946413 1.0 Al Al47 1 0.09324338 0.90675662 0.30053587 1.0 Al Al48 1 0.09324338 0.90675662 0.19946413 1.0 Al Al49 1 0.90675662 0.09324338 0.80053587 1.0 Al Al50 1 0.87682852 0.61995390 0.58310909 1.0 Al Al51 1 0.12317148 0.38004610 0.41689091 1.0 Al Al52 1 0.12317148 0.38004610 0.08310909 1.0 Al Al53 1 0.38004610 0.12317148 0.91689091 1.0 Al Al54 1 0.87682852 0.61995390 0.91689091 1.0 Al Al55 1 0.61995390 0.87682852 0.08310909 1.0 Al Al56 1 0.61995390 0.87682852 0.41689091 1.0 Al Al57 1 0.38004610 0.12317148 0.58310909 1.0 Al Al58 1 0.20504168 0.20504168 0.50000000 1.0 Al Al59 1 0.79495832 0.79495832 0.50000000 1.0 Al Al60 1 0.79495832 0.79495832 0.00000000 1.0 Al Al61 1 0.20504168 0.20504168 0.00000000 1.0 Al Al62 1 0.83469861 0.16530139 0.03410813 1.0 Al Al63 1 0.16530139 0.83469861 0.96589187 1.0 Al Al64 1 0.16530139 0.83469861 0.53410813 1.0 Al Al65 1 0.83469861 0.16530139 0.46589187 1.0 Re Re66 1 0.24886980 0.25528340 0.66306575 1.0 Re Re67 1 0.75113020 0.74471660 0.33693425 1.0 Re Re68 1 0.75113020 0.74471660 0.16306575 1.0 Re Re69 1 0.74471660 0.75113020 0.83693425 1.0 Re Re70 1 0.24886980 0.25528340 0.83693425 1.0 Re Re71 1 0.25528340 0.24886980 0.16306575 1.0 Re Re72 1 0.25528340 0.24886980 0.33693425 1.0 Re Re73 1 0.74471660 0.75113020 0.66306575 1.0 Re Re74 1 0.00000000 0.50000000 0.50000000 1.0 Re Re75 1 0.00000000 0.50000000 0.00000000 1.0 Re Re76 1 0.50000000 0.00000000 0.00000000 1.0 Re Re77 1 0.50000000 0.00000000 0.50000000 1.0