# generated using pymatgen data_Al12Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.49450200 _cell_length_b 9.49450200 _cell_length_c 9.49450200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al12Ru _chemical_formula_sum 'Al48 Ru4' _cell_volume 855.88727783 _cell_formula_units_Z 4 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 0.44658500 0.19714500 0.80285500 1.0 Al Al1 1 0.19714500 0.19714500 0.55341500 1.0 Al Al2 1 0.19714500 0.44658500 0.80285500 1.0 Al Al3 1 0.44658500 0.80285500 0.19714500 1.0 Al Al4 1 0.19714500 0.80285500 0.44658500 1.0 Al Al5 1 0.19714500 0.55341500 0.19714500 1.0 Al Al6 1 0.55341500 0.19714500 0.19714500 1.0 Al Al7 1 0.80285500 0.19714500 0.44658500 1.0 Al Al8 1 0.80285500 0.44658500 0.19714500 1.0 Al Al9 1 0.55341500 0.80285500 0.80285500 1.0 Al Al10 1 0.80285500 0.80285500 0.55341500 1.0 Al Al11 1 0.80285500 0.55341500 0.80285500 1.0 Al Al12 1 0.15305500 0.15305500 0.84694500 1.0 Al Al13 1 0.15305500 0.84694500 0.15305500 1.0 Al Al14 1 0.84694500 0.15305500 0.15305500 1.0 Al Al15 1 0.84694500 0.84694500 0.84694500 1.0 Al Al16 1 0.39895800 0.39895800 0.60104200 1.0 Al Al17 1 0.39895800 0.60104200 0.39895800 1.0 Al Al18 1 0.60104200 0.39895800 0.39895800 1.0 Al Al19 1 0.60104200 0.60104200 0.60104200 1.0 Al Al20 1 0.66982900 0.66982900 0.33017100 1.0 Al Al21 1 0.66982900 0.33017100 0.66982900 1.0 Al Al22 1 0.33017100 0.66982900 0.66982900 1.0 Al Al23 1 0.33017100 0.33017100 0.33017100 1.0 Al Al24 1 0.00000000 0.00000000 0.35212700 1.0 Al Al25 1 0.00000000 0.64787300 0.00000000 1.0 Al Al26 1 0.64787300 0.00000000 0.00000000 1.0 Al Al27 1 0.00000000 0.00000000 0.64787300 1.0 Al Al28 1 0.00000000 0.35212700 0.00000000 1.0 Al Al29 1 0.35212700 0.00000000 0.00000000 1.0 Al Al30 1 0.50000000 0.50000000 0.86165600 1.0 Al Al31 1 0.50000000 0.13834400 0.50000000 1.0 Al Al32 1 0.13834400 0.50000000 0.50000000 1.0 Al Al33 1 0.50000000 0.50000000 0.13834400 1.0 Al Al34 1 0.50000000 0.86165600 0.50000000 1.0 Al Al35 1 0.86165600 0.50000000 0.50000000 1.0 Al Al36 1 0.95597800 0.69562200 0.30437800 1.0 Al Al37 1 0.69562200 0.69562200 0.04402200 1.0 Al Al38 1 0.69562200 0.95597800 0.30437800 1.0 Al Al39 1 0.95597800 0.30437800 0.69562200 1.0 Al Al40 1 0.69562200 0.30437800 0.95597800 1.0 Al Al41 1 0.69562200 0.04402200 0.69562200 1.0 Al Al42 1 0.04402200 0.69562200 0.69562200 1.0 Al Al43 1 0.30437800 0.69562200 0.95597800 1.0 Al Al44 1 0.30437800 0.95597800 0.69562200 1.0 Al Al45 1 0.04402200 0.30437800 0.30437800 1.0 Al Al46 1 0.30437800 0.30437800 0.04402200 1.0 Al Al47 1 0.30437800 0.04402200 0.30437800 1.0 Ru Ru48 1 0.88301000 0.88301000 0.11699000 1.0 Ru Ru49 1 0.88301000 0.11699000 0.88301000 1.0 Ru Ru50 1 0.11699000 0.88301000 0.88301000 1.0 Ru Ru51 1 0.11699000 0.11699000 0.11699000 1.0