# generated using pymatgen data_Np(Al5Ru)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.81624407 _cell_length_b 6.81624423 _cell_length_c 9.07663494 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 97.23207349 _symmetry_Int_Tables_number 1 _chemical_formula_structural Np(Al5Ru)2 _chemical_formula_sum 'Np2 Al20 Ru4' _cell_volume 418.35623715 _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 Np Np0 1 0.87834701 0.12165299 0.75000000 1.0 Np Np1 1 0.12165299 0.87834701 0.25000000 1.0 Al Al2 1 0.77447590 0.77447590 0.00000000 1.0 Al Al3 1 0.77447590 0.77447590 0.50000000 1.0 Al Al4 1 0.22552410 0.22552410 0.00000000 1.0 Al Al5 1 0.22552410 0.22552410 0.50000000 1.0 Al Al6 1 0.62299444 0.37700556 0.94964090 1.0 Al Al7 1 0.37700556 0.62299444 0.05035910 1.0 Al Al8 1 0.62299444 0.37700556 0.55035910 1.0 Al Al9 1 0.37700556 0.62299444 0.44964090 1.0 Al Al10 1 0.84162423 0.15837577 0.39899157 1.0 Al Al11 1 0.15837577 0.84162423 0.60100843 1.0 Al Al12 1 0.84162423 0.15837577 0.10100843 1.0 Al Al13 1 0.15837577 0.84162423 0.89899157 1.0 Al Al14 1 0.41046255 0.13893507 0.75000000 1.0 Al Al15 1 0.13893507 0.41046255 0.25000000 1.0 Al Al16 1 0.58953745 0.86106493 0.25000000 1.0 Al Al17 1 0.86106493 0.58953745 0.75000000 1.0 Al Al18 1 0.52015285 0.78098268 0.75000000 1.0 Al Al19 1 0.78098268 0.52015285 0.25000000 1.0 Al Al20 1 0.47984715 0.21901732 0.25000000 1.0 Al Al21 1 0.21901732 0.47984715 0.75000000 1.0 Ru Ru22 1 0.50000000 0.00000000 0.00000000 1.0 Ru Ru23 1 0.00000000 0.50000000 0.00000000 1.0 Ru Ru24 1 0.50000000 0.00000000 0.50000000 1.0 Ru Ru25 1 0.00000000 0.50000000 0.50000000 1.0