# generated using pymatgen data_Pu3Zn22 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.31930102 _cell_length_b 12.31930102 _cell_length_c 12.31930102 _cell_angle_alpha 137.80970136 _cell_angle_beta 137.80970136 _cell_angle_gamma 61.19457504 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pu3Zn22 _chemical_formula_sum 'Pu6 Zn44' _cell_volume 833.89249663 _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 Pu Pu0 1 0.75000000 0.25000000 0.50000000 1.0 Pu Pu1 1 0.37812300 0.37812300 0.00000000 1.0 Pu Pu2 1 0.12812300 0.62812300 0.50000000 1.0 Pu Pu3 1 0.37187700 0.87187700 0.50000000 1.0 Pu Pu4 1 0.62187700 0.62187700 0.00000000 1.0 Pu Pu5 1 0.00000000 0.00000000 0.00000000 1.0 Zn Zn6 1 0.13586100 0.28999700 0.15413600 1.0 Zn Zn7 1 0.13586100 0.98172600 0.84586400 1.0 Zn Zn8 1 0.73172600 0.38586100 0.34586400 1.0 Zn Zn9 1 0.09336100 0.24331000 0.85005200 1.0 Zn Zn10 1 0.25050300 0.96925800 0.71875500 1.0 Zn Zn11 1 0.87500000 0.12500000 0.25000000 1.0 Zn Zn12 1 0.99331000 0.34336100 0.35005200 1.0 Zn Zn13 1 0.61413900 0.96000300 0.34586400 1.0 Zn Zn14 1 0.91576500 0.44521500 0.98919900 1.0 Zn Zn15 1 0.67656500 0.16576500 0.97054900 1.0 Zn Zn16 1 0.29398400 0.32343500 0.48919900 1.0 Zn Zn17 1 0.19521500 0.16576500 0.48919900 1.0 Zn Zn18 1 0.83423500 0.80478500 0.51080100 1.0 Zn Zn19 1 0.07343500 0.54398400 0.98919900 1.0 Zn Zn20 1 0.65663900 0.00669000 0.64994800 1.0 Zn Zn21 1 0.49949700 0.71825200 0.21875500 1.0 Zn Zn22 1 0.03074200 0.74949700 0.28124500 1.0 Zn Zn23 1 0.35674200 0.00669000 0.35005200 1.0 Zn Zn24 1 0.07343500 0.08423500 0.52945100 1.0 Zn Zn25 1 0.75669000 0.60674200 0.85005200 1.0 Zn Zn26 1 0.99331000 0.64325800 0.64994800 1.0 Zn Zn27 1 0.39325800 0.24331000 0.14994800 1.0 Zn Zn28 1 0.28174800 0.50050300 0.78124500 1.0 Zn Zn29 1 0.45601600 0.92656500 0.01080100 1.0 Zn Zn30 1 0.45601600 0.44521500 0.52945100 1.0 Zn Zn31 1 0.29398400 0.80478500 0.97054900 1.0 Zn Zn32 1 0.49949700 0.28074200 0.78124500 1.0 Zn Zn33 1 0.75669000 0.90663900 0.14994800 1.0 Zn Zn34 1 0.25050300 0.53174800 0.28124500 1.0 Zn Zn35 1 0.91576500 0.92656500 0.47054900 1.0 Zn Zn36 1 0.46825200 0.74949700 0.71875500 1.0 Zn Zn37 1 0.55478500 0.08423500 0.01080100 1.0 Zn Zn38 1 0.19521500 0.70601600 0.02945100 1.0 Zn Zn39 1 0.71000300 0.86413900 0.84586400 1.0 Zn Zn40 1 0.71925800 0.50050300 0.21875500 1.0 Zn Zn41 1 0.55478500 0.54398400 0.47054900 1.0 Zn Zn42 1 0.87500000 0.12500000 0.75000000 1.0 Zn Zn43 1 0.03999700 0.38586100 0.65413600 1.0 Zn Zn44 1 0.01827400 0.86413900 0.15413600 1.0 Zn Zn45 1 0.67656500 0.70601600 0.51080100 1.0 Zn Zn46 1 0.83423500 0.32343500 0.02945100 1.0 Zn Zn47 1 0.37500000 0.12500000 0.25000000 1.0 Zn Zn48 1 0.87500000 0.62500000 0.75000000 1.0 Zn Zn49 1 0.61413900 0.26827400 0.65413600 1.0