# generated using pymatgen data_Nd17Au36 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 16.12513400 _cell_length_b 16.12513400 _cell_length_c 9.46540700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd17Au36 _chemical_formula_sum 'Nd34 Au72' _cell_volume 2461.19462191 _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 0.24665100 0.50000000 0.11711300 1.0 Nd Nd1 1 0.67020500 0.82979500 0.38675900 1.0 Nd Nd2 1 0.15880200 0.00000000 0.41304100 1.0 Nd Nd3 1 0.00000000 0.50000000 0.70377600 1.0 Nd Nd4 1 0.67020500 0.17020500 0.38675900 1.0 Nd Nd5 1 0.74665100 0.00000000 0.88288700 1.0 Nd Nd6 1 0.50000000 0.65880200 0.41304100 1.0 Nd Nd7 1 0.84119800 0.00000000 0.41304100 1.0 Nd Nd8 1 0.50000000 0.75334900 0.88288700 1.0 Nd Nd9 1 0.50000000 0.00000000 0.29622400 1.0 Nd Nd10 1 0.00000000 0.50000000 0.21273200 1.0 Nd Nd11 1 0.00000000 0.74665100 0.11711300 1.0 Nd Nd12 1 0.82979500 0.67020500 0.61324100 1.0 Nd Nd13 1 0.00000000 0.25334900 0.11711300 1.0 Nd Nd14 1 0.32979500 0.17020500 0.38675900 1.0 Nd Nd15 1 0.32979500 0.82979500 0.38675900 1.0 Nd Nd16 1 0.00000000 0.00000000 0.00000000 1.0 Nd Nd17 1 0.75334900 0.50000000 0.11711300 1.0 Nd Nd18 1 0.82979500 0.32979500 0.61324100 1.0 Nd Nd19 1 0.50000000 0.24665100 0.88288700 1.0 Nd Nd20 1 0.75000000 0.75000000 0.00000000 1.0 Nd Nd21 1 0.65880200 0.50000000 0.58695900 1.0 Nd Nd22 1 0.50000000 0.34119800 0.41304100 1.0 Nd Nd23 1 0.17020500 0.67020500 0.61324100 1.0 Nd Nd24 1 0.50000000 0.50000000 0.00000000 1.0 Nd Nd25 1 0.00000000 0.15880200 0.58695900 1.0 Nd Nd26 1 0.17020500 0.32979500 0.61324100 1.0 Nd Nd27 1 0.75000000 0.25000000 0.00000000 1.0 Nd Nd28 1 0.50000000 0.00000000 0.78726800 1.0 Nd Nd29 1 0.34119800 0.50000000 0.58695900 1.0 Nd Nd30 1 0.25000000 0.75000000 0.00000000 1.0 Nd Nd31 1 0.25000000 0.25000000 0.00000000 1.0 Nd Nd32 1 0.00000000 0.84119800 0.58695900 1.0 Nd Nd33 1 0.25334900 0.00000000 0.88288700 1.0 Au Au34 1 0.10369500 0.39630500 0.96859500 1.0 Au Au35 1 0.79918200 0.86227100 0.63251900 1.0 Au Au36 1 0.40384400 0.33821600 0.12577600 1.0 Au Au37 1 0.09615600 0.83821600 0.87422400 1.0 Au Au38 1 0.29918200 0.63772900 0.36748100 1.0 Au Au39 1 0.30832600 0.00000000 0.22534900 1.0 Au Au40 1 0.00000000 0.69167400 0.77465100 1.0 Au Au41 1 0.00000000 0.64906200 0.46494000 1.0 Au Au42 1 0.50000000 0.80832600 0.22534900 1.0 Au Au43 1 0.83821600 0.09615600 0.12577600 1.0 Au Au44 1 0.33821600 0.59615600 0.87422400 1.0 Au Au45 1 0.20081800 0.86227100 0.63251900 1.0 Au Au46 1 0.33821600 0.40384400 0.87422400 1.0 Au Au47 1 0.40384400 0.66178400 0.12577600 1.0 Au Au48 1 0.10369500 0.60369500 0.96859500 1.0 Au Au49 1 0.08829700 0.00000000 0.71066200 1.0 Au Au50 1 0.00000000 0.35093800 0.46494000 1.0 Au Au51 1 0.59615600 0.66178400 0.12577600 1.0 Au Au52 1 0.66178400 0.40384400 0.87422400 1.0 Au Au53 1 0.66178400 0.59615600 0.87422400 1.0 Au Au54 1 0.90384400 0.83821600 0.87422400 1.0 Au Au55 1 0.00000000 0.30832600 0.77465100 1.0 Au Au56 1 0.90384400 0.16178400 0.87422400 1.0 Au Au57 1 0.91170300 0.00000000 0.71066200 1.0 Au Au58 1 0.13772900 0.20081800 0.36748100 1.0 Au Au59 1 0.89630500 0.60369500 0.96859500 1.0 Au Au60 1 0.16178400 0.90384400 0.12577600 1.0 Au Au61 1 0.86227100 0.79918200 0.36748100 1.0 Au Au62 1 0.70081800 0.63772900 0.36748100 1.0 Au Au63 1 0.59615600 0.33821600 0.12577600 1.0 Au Au64 1 0.69167400 0.00000000 0.22534900 1.0 Au Au65 1 0.50000000 0.41170300 0.71066200 1.0 Au Au66 1 0.20081800 0.13772900 0.63251900 1.0 Au Au67 1 0.83821600 0.90384400 0.12577600 1.0 Au Au68 1 0.29918200 0.36227100 0.36748100 1.0 Au Au69 1 0.50000000 0.19167400 0.22534900 1.0 Au Au70 1 0.60369500 0.10369500 0.03140500 1.0 Au Au71 1 0.63772900 0.70081800 0.63251900 1.0 Au Au72 1 0.41170300 0.50000000 0.28933800 1.0 Au Au73 1 0.63772900 0.29918200 0.63251900 1.0 Au Au74 1 0.09615600 0.16178400 0.87422400 1.0 Au Au75 1 0.79918200 0.13772900 0.63251900 1.0 Au Au76 1 0.36279500 0.13720500 0.74419300 1.0 Au Au77 1 0.80832600 0.50000000 0.77465100 1.0 Au Au78 1 0.89630500 0.39630500 0.96859500 1.0 Au Au79 1 0.00000000 0.91170300 0.28933800 1.0 Au Au80 1 0.60369500 0.89630500 0.03140500 1.0 Au Au81 1 0.50000000 0.85093800 0.53506000 1.0 Au Au82 1 0.36279500 0.86279500 0.74419300 1.0 Au Au83 1 0.35093800 0.00000000 0.53506000 1.0 Au Au84 1 0.36227100 0.70081800 0.63251900 1.0 Au Au85 1 0.14906200 0.50000000 0.46494000 1.0 Au Au86 1 0.58829700 0.50000000 0.28933800 1.0 Au Au87 1 0.86227100 0.20081800 0.36748100 1.0 Au Au88 1 0.50000000 0.58829700 0.71066200 1.0 Au Au89 1 0.85093800 0.50000000 0.46494000 1.0 Au Au90 1 0.13720500 0.63720500 0.25580700 1.0 Au Au91 1 0.64906200 0.00000000 0.53506000 1.0 Au Au92 1 0.63720500 0.86279500 0.74419300 1.0 Au Au93 1 0.39630500 0.89630500 0.03140500 1.0 Au Au94 1 0.13772900 0.79918200 0.36748100 1.0 Au Au95 1 0.86279500 0.36279500 0.25580700 1.0 Au Au96 1 0.19167400 0.50000000 0.77465100 1.0 Au Au97 1 0.16178400 0.09615600 0.12577600 1.0 Au Au98 1 0.63720500 0.13720500 0.74419300 1.0 Au Au99 1 0.00000000 0.08829700 0.28933800 1.0 Au Au100 1 0.13720500 0.36279500 0.25580700 1.0 Au Au101 1 0.36227100 0.29918200 0.63251900 1.0 Au Au102 1 0.86279500 0.63720500 0.25580700 1.0 Au Au103 1 0.39630500 0.10369500 0.03140500 1.0 Au Au104 1 0.50000000 0.14906200 0.53506000 1.0 Au Au105 1 0.70081800 0.36227100 0.36748100 1.0