# generated using pymatgen data_Mg16Al12Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.31575211 _cell_length_b 8.95775709 _cell_length_c 8.95775814 _cell_angle_alpha 108.64753857 _cell_angle_beta 110.28285502 _cell_angle_gamma 110.28284487 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg16Al12Ru _chemical_formula_sum 'Mg16 Al12 Ru1' _cell_volume 569.56870951 _cell_formula_units_Z 1 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 Mg Mg0 1 0.31844200 0.59384100 0.00000000 1.0 Mg Mg1 1 0.98847800 0.00000000 0.00000000 1.0 Mg Mg2 1 0.56782200 0.25613800 0.00000000 1.0 Mg Mg3 1 0.00466900 0.35627500 0.00000000 1.0 Mg Mg4 1 0.56782200 0.00000000 0.25613800 1.0 Mg Mg5 1 0.68065000 0.67253700 0.27407600 1.0 Mg Mg6 1 0.00811400 0.60153900 0.32746300 1.0 Mg Mg7 1 0.00466900 0.00000100 0.35627500 1.0 Mg Mg8 1 0.40657500 0.72592400 0.39846200 1.0 Mg Mg9 1 0.72460200 0.40616100 0.40616000 1.0 Mg Mg10 1 0.31844200 0.00000000 0.59384100 1.0 Mg Mg11 1 0.00811400 0.32746300 0.60153900 1.0 Mg Mg12 1 0.64839500 0.64372500 0.64372500 1.0 Mg Mg13 1 0.68065000 0.27407600 0.67253700 1.0 Mg Mg14 1 0.40657500 0.39846200 0.72592400 1.0 Mg Mg15 1 0.31168300 0.74386200 0.74386200 1.0 Al Al16 1 0.81053600 0.60949800 0.99999900 1.0 Al Al17 1 0.65270100 0.80776600 0.00000000 1.0 Al Al18 1 0.18454400 0.81812100 0.17936000 1.0 Al Al19 1 0.36642300 0.36124100 0.18187800 1.0 Al Al20 1 0.84493400 0.19223400 0.19223400 1.0 Al Al21 1 0.36642300 0.18187900 0.36124000 1.0 Al Al22 1 0.20103800 0.39050400 0.39050400 1.0 Al Al23 1 0.81053700 0.00000000 0.60949700 1.0 Al Al24 1 0.00518300 0.82064000 0.63876000 1.0 Al Al25 1 0.65270100 0.00000100 0.80776600 1.0 Al Al26 1 0.18454400 0.17936000 0.81812100 1.0 Al Al27 1 0.00518200 0.63876000 0.82064000 1.0 Ru Ru28 1 0.26955300 0.00000000 0.00000100 1.0