# generated using pymatgen data_Al13Ru4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.16335365 _cell_length_b 8.91592852 _cell_length_c 12.69060193 _cell_angle_alpha 105.73364595 _cell_angle_beta 89.99764124 _cell_angle_gamma 117.25178541 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al13Ru4 _chemical_formula_sum 'Al39 Ru12' _cell_volume 782.02037775 _cell_formula_units_Z 3 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 0.50000000 -0.00000000 0.50000000 1.0 Al Al1 1 0.74953910 -0.00003481 0.00004755 1.0 Al Al2 1 0.25046090 0.00003481 -0.00004755 1.0 Al Al3 1 0.06821146 0.13616808 0.17445518 1.0 Al Al4 1 0.93178854 0.86383192 0.82554482 1.0 Al Al5 1 0.32499002 0.65002111 0.28492240 1.0 Al Al6 1 0.67500998 0.34997889 0.71507760 1.0 Al Al7 1 0.23508780 0.47037050 0.54371630 1.0 Al Al8 1 0.76491220 0.52962950 0.45628370 1.0 Al Al9 1 0.07189906 0.14392023 0.58019158 1.0 Al Al10 1 0.92810094 0.85607977 0.41980842 1.0 Al Al11 1 0.23818032 0.47629452 0.95117469 1.0 Al Al12 1 0.76181968 0.52370548 0.04882531 1.0 Al Al13 1 0.48215296 0.96423419 0.82984874 1.0 Al Al14 1 0.51784704 0.03576581 0.17015126 1.0 Al Al15 1 0.31141380 0.62255759 0.77422355 1.0 Al Al16 1 0.68858620 0.37744241 0.22577645 1.0 Al Al17 1 0.08103317 0.16205859 0.78500402 1.0 Al Al18 1 0.91896683 0.83794141 0.21499598 1.0 Al Al19 1 0.96547065 0.37178367 0.10922504 1.0 Al Al20 1 0.59380306 0.62816691 0.89080717 1.0 Al Al21 1 0.03452935 0.62821633 0.89077496 1.0 Al Al22 1 0.40619694 0.37183309 0.10919283 1.0 Al Al23 1 0.14958617 0.73370981 0.10822288 1.0 Al Al24 1 0.41587336 0.26619181 0.89180207 1.0 Al Al25 1 0.85041383 0.26629019 0.89177712 1.0 Al Al26 1 0.58412664 0.73380819 0.10819793 1.0 Al Al27 1 0.95669999 0.35781925 0.33593524 1.0 Al Al28 1 0.59878307 0.64198274 0.66394605 1.0 Al Al29 1 0.04330001 0.64218075 0.66406476 1.0 Al Al30 1 0.40121693 0.35801726 0.33605395 1.0 Al Al31 1 0.25734525 0.98218847 0.33009766 1.0 Al Al32 1 0.27517039 0.01782500 0.66984800 1.0 Al Al33 1 0.74265475 0.01781153 0.66990234 1.0 Al Al34 1 0.72482961 0.98217500 0.33015200 1.0 Al Al35 1 0.14071347 0.72782227 0.48089577 1.0 Al Al36 1 0.41290800 0.27222465 0.51908175 1.0 Al Al37 1 0.85928653 0.27217773 0.51910423 1.0 Al Al38 1 0.58709200 0.72777535 0.48091825 1.0 Ru Ru39 1 0.08539793 0.17075763 0.38265012 1.0 Ru Ru40 1 0.91460207 0.82924237 0.61734988 1.0 Ru Ru41 1 0.40188933 0.80380016 0.62497324 1.0 Ru Ru42 1 0.59811067 0.19619984 0.37502676 1.0 Ru Ru43 1 0.09148788 0.18307783 0.98748092 1.0 Ru Ru44 1 0.90851212 0.81692217 0.01251908 1.0 Ru Ru45 1 0.40078875 0.80159871 0.98453789 1.0 Ru Ru46 1 0.59921125 0.19840129 0.01546211 1.0 Ru Ru47 1 0.02136785 0.63743124 0.27798814 1.0 Ru Ru48 1 0.38399504 0.36255207 0.72205796 1.0 Ru Ru49 1 0.97863215 0.36256876 0.72201186 1.0 Ru Ru50 1 0.61600496 0.63744793 0.27794204 1.0