# generated using pymatgen data_Al21Pd8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.61451132 _cell_length_b 10.61451055 _cell_length_c 10.61450987 _cell_angle_alpha 104.65483045 _cell_angle_beta 104.65482838 _cell_angle_gamma 119.60444813 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al21Pd8 _chemical_formula_sum 'Al42 Pd16' _cell_volume 898.68914426 _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 Al Al0 1 0.12500000 0.37500000 0.75000000 1.0 Al Al1 1 0.87500000 0.62500000 0.25000000 1.0 Al Al2 1 0.61404374 0.72081078 0.78495112 1.0 Al Al3 1 0.22081078 0.93585966 0.10676603 1.0 Al Al4 1 0.32909263 0.11404374 0.39323397 1.0 Al Al5 1 0.43585966 0.82909263 0.71504888 1.0 Al Al6 1 0.38595626 0.27918922 0.21504888 1.0 Al Al7 1 0.77918922 0.06414034 0.89323397 1.0 Al Al8 1 0.67090737 0.88595626 0.60676603 1.0 Al Al9 1 0.56414034 0.17090737 0.28495112 1.0 Al Al10 1 0.65949938 0.07515947 0.08824427 1.0 Al Al11 1 0.57515947 0.98691420 0.41565909 1.0 Al Al12 1 0.07125511 0.15949938 0.08434091 1.0 Al Al13 1 0.48691420 0.57125511 0.41175573 1.0 Al Al14 1 0.34050062 0.92484053 0.91175573 1.0 Al Al15 1 0.42484053 0.01308580 0.58434091 1.0 Al Al16 1 0.92874489 0.84050062 0.91565909 1.0 Al Al17 1 0.51308580 0.42874489 0.58824427 1.0 Al Al18 1 0.93796732 0.18043202 0.32128281 1.0 Al Al19 1 0.68043202 0.85914921 0.24246270 1.0 Al Al20 1 0.11668551 0.43796732 0.25753730 1.0 Al Al21 1 0.35914921 0.61668551 0.17871719 1.0 Al Al22 1 0.06203268 0.81956798 0.67871719 1.0 Al Al23 1 0.31956798 0.14085079 0.75753730 1.0 Al Al24 1 0.88331449 0.56203268 0.74246270 1.0 Al Al25 1 0.64085079 0.38331449 0.82128281 1.0 Al Al26 1 0.15350964 0.17677799 0.54084059 1.0 Al Al27 1 0.67677799 0.63593840 0.02326935 1.0 Al Al28 1 0.11266905 0.65350964 0.47673065 1.0 Al Al29 1 0.13593840 0.61266905 0.95915941 1.0 Al Al30 1 0.84649036 0.82322201 0.45915941 1.0 Al Al31 1 0.32322201 0.36406160 0.97673065 1.0 Al Al32 1 0.88733095 0.34649036 0.52326935 1.0 Al Al33 1 0.86406160 0.38733095 0.04084059 1.0 Al Al34 1 0.28169035 0.50927469 0.58513989 1.0 Al Al35 1 0.00927469 0.92413380 0.22758234 1.0 Al Al36 1 0.19655046 0.78169035 0.27241766 1.0 Al Al37 1 0.42413380 0.69655046 0.91486011 1.0 Al Al38 1 0.71830965 0.49072531 0.41486011 1.0 Al Al39 1 0.99072531 0.07586620 0.77241766 1.0 Al Al40 1 0.80344954 0.21830965 0.72758234 1.0 Al Al41 1 0.57586620 0.30344954 0.08513989 1.0 Pd Pd42 1 0.84966152 0.37611063 0.28705083 1.0 Pd Pd43 1 0.87611063 0.08906080 0.52645111 1.0 Pd Pd44 1 0.06260869 0.34966152 0.97354889 1.0 Pd Pd45 1 0.58906080 0.56260869 0.21294917 1.0 Pd Pd46 1 0.15033848 0.62388937 0.71294917 1.0 Pd Pd47 1 0.12388937 0.91093920 0.47354889 1.0 Pd Pd48 1 0.93739131 0.65033848 0.02645111 1.0 Pd Pd49 1 0.41093920 0.43739131 0.78705083 1.0 Pd Pd50 1 0.20636795 0.06982396 0.93694930 1.0 Pd Pd51 1 0.56982396 0.13287566 0.86345601 1.0 Pd Pd52 1 0.76941765 0.70636795 0.63654399 1.0 Pd Pd53 1 0.63287566 0.26941765 0.56305070 1.0 Pd Pd54 1 0.79363205 0.93017604 0.06305070 1.0 Pd Pd55 1 0.43017604 0.86712434 0.13654399 1.0 Pd Pd56 1 0.23058235 0.29363205 0.36345601 1.0 Pd Pd57 1 0.36712434 0.73058235 0.43694930 1.0