# generated using pymatgen data_NdAl10IrRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.84047770 _cell_length_b 6.84047735 _cell_length_c 9.13040558 _cell_angle_alpha 90.06661425 _cell_angle_beta 89.93338334 _cell_angle_gamma 97.26161116 _symmetry_Int_Tables_number 1 _chemical_formula_structural NdAl10IrRu _chemical_formula_sum 'Nd2 Al20 Ir2 Ru2' _cell_volume 423.80397156 _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 Nd Nd0 1 0.87317758 0.12682242 0.75011186 1.0 Nd Nd1 1 0.12682242 0.87317758 0.24988814 1.0 Al Al2 1 0.59294366 0.85873994 0.25176224 1.0 Al Al3 1 0.77814039 0.51725247 0.25268286 1.0 Al Al4 1 0.15931341 0.84068659 0.89585618 1.0 Al Al5 1 0.40705634 0.14126006 0.74823776 1.0 Al Al6 1 0.62097990 0.37902010 0.94856521 1.0 Al Al7 1 0.84134096 0.15865904 0.39942672 1.0 Al Al8 1 0.77505113 0.77505113 0.00000000 1.0 Al Al9 1 0.85873994 0.59294366 0.74823776 1.0 Al Al10 1 0.84068659 0.15931341 0.10414382 1.0 Al Al11 1 0.22185961 0.48274753 0.74731714 1.0 Al Al12 1 0.15865904 0.84134096 0.60057328 1.0 Al Al13 1 0.77491391 0.77491391 0.50000000 1.0 Al Al14 1 0.48274753 0.22185961 0.25268286 1.0 Al Al15 1 0.62268777 0.37731223 0.54937101 1.0 Al Al16 1 0.22508609 0.22508609 0.50000000 1.0 Al Al17 1 0.37731223 0.62268777 0.45062899 1.0 Al Al18 1 0.14126006 0.40705634 0.25176224 1.0 Al Al19 1 0.51725247 0.77814039 0.74731714 1.0 Al Al20 1 0.37902010 0.62097990 0.05143479 1.0 Al Al21 1 0.22494887 0.22494887 1.00000000 1.0 Ir Ir22 1 0.50000000 0.00000000 0.00000000 1.0 Ir Ir23 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