# generated using pymatgen data_Nd5Ge2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.97206924 _cell_length_b 8.88601629 _cell_length_c 12.27311439 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd5Ge2Ru _chemical_formula_sum 'Nd20 Ge8 Ru4' _cell_volume 869.42665208 _cell_formula_units_Z 4 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 0.66626381 0.75000000 0.71380091 1.0 Nd Nd1 1 0.33373619 0.25000000 0.28619909 1.0 Nd Nd2 1 0.16626381 0.25000000 0.78619909 1.0 Nd Nd3 1 0.83373619 0.75000000 0.21380091 1.0 Nd Nd4 1 0.14509088 0.75000000 0.79624864 1.0 Nd Nd5 1 0.85490912 0.25000000 0.20375136 1.0 Nd Nd6 1 0.64509088 0.25000000 0.70375136 1.0 Nd Nd7 1 0.35490912 0.75000000 0.29624864 1.0 Nd Nd8 1 0.53681412 0.75000000 0.99955885 1.0 Nd Nd9 1 0.46318588 0.25000000 0.00044115 1.0 Nd Nd10 1 0.03681412 0.25000000 0.50044115 1.0 Nd Nd11 1 0.96318588 0.75000000 0.49955885 1.0 Nd Nd12 1 0.81988842 0.47040369 0.92732250 1.0 Nd Nd13 1 0.18011158 0.52959631 0.07267750 1.0 Nd Nd14 1 0.31988842 0.52959631 0.57267750 1.0 Nd Nd15 1 0.18011158 0.97040369 0.07267750 1.0 Nd Nd16 1 0.68011158 0.47040369 0.42732250 1.0 Nd Nd17 1 0.81988842 0.02959631 0.92732250 1.0 Nd Nd18 1 0.68011158 0.02959631 0.42732250 1.0 Nd Nd19 1 0.31988842 0.97040369 0.57267750 1.0 Ge Ge20 1 0.93861769 0.00455537 0.67163279 1.0 Ge Ge21 1 0.06138231 0.99544463 0.32836721 1.0 Ge Ge22 1 0.43861769 0.99544463 0.82836721 1.0 Ge Ge23 1 0.06138231 0.50455537 0.32836721 1.0 Ge Ge24 1 0.56138231 0.00455537 0.17163279 1.0 Ge Ge25 1 0.93861769 0.49544463 0.67163279 1.0 Ge Ge26 1 0.56138231 0.49544463 0.17163279 1.0 Ge Ge27 1 0.43861769 0.50455537 0.82836721 1.0 Ru Ru28 1 0.92537992 0.75000000 0.98466057 1.0 Ru Ru29 1 0.07462008 0.25000000 0.01533943 1.0 Ru Ru30 1 0.42537992 0.25000000 0.51533943 1.0 Ru Ru31 1 0.57462008 0.75000000 0.48466057 1.0