# generated using pymatgen data_Nd(Al5Ru)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.83967284 _cell_length_b 6.83967284 _cell_length_c 9.13514664 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 96.97222331 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd(Al5Ru)2 _chemical_formula_sum 'Nd2 Al20 Ru4' _cell_volume 424.19221118 _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 0.87613141 0.12386859 0.75000000 1.0 Nd Nd1 1 0.12386859 0.87613141 0.25000000 1.0 Al Al2 1 0.62275910 0.37724090 0.55053574 1.0 Al Al3 1 0.37724090 0.62275910 0.44946426 1.0 Al Al4 1 0.37724090 0.62275910 0.05053574 1.0 Al Al5 1 0.62275910 0.37724090 0.94946426 1.0 Al Al6 1 0.22868001 0.22868001 0.50000000 1.0 Al Al7 1 0.77131999 0.77131999 0.50000000 1.0 Al Al8 1 0.77131999 0.77131999 0.00000000 1.0 Al Al9 1 0.22868001 0.22868001 0.00000000 1.0 Al Al10 1 0.83875166 0.16124834 0.10154064 1.0 Al Al11 1 0.16124834 0.83875166 0.89845936 1.0 Al Al12 1 0.16124834 0.83875166 0.60154064 1.0 Al Al13 1 0.83875166 0.16124834 0.39845936 1.0 Al Al14 1 0.86120004 0.59115687 0.75000000 1.0 Al Al15 1 0.13879996 0.40884313 0.25000000 1.0 Al Al16 1 0.40884313 0.13879996 0.75000000 1.0 Al Al17 1 0.59115687 0.86120004 0.25000000 1.0 Al Al18 1 0.22002345 0.48226964 0.75000000 1.0 Al Al19 1 0.77997655 0.51773036 0.25000000 1.0 Al Al20 1 0.51773036 0.77997655 0.75000000 1.0 Al Al21 1 0.48226964 0.22002345 0.25000000 1.0 Ru Ru22 1 0.00000000 0.50000000 0.50000000 1.0 Ru Ru23 1 0.00000000 0.50000000 0.00000000 1.0 Ru Ru24 1 0.50000000 -0.00000000 0.00000000 1.0 Ru Ru25 1 0.50000000 -0.00000000 0.50000000 1.0