# generated using pymatgen data_PuCu6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.02668600 _cell_length_b 8.02328700 _cell_length_c 10.06820300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PuCu6 _chemical_formula_sum 'Pu4 Cu24' _cell_volume 406.05610849 _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 Pu Pu0 1 0.25000000 0.25841600 0.56554600 1.0 Pu Pu1 1 0.25000000 0.75841600 0.93445400 1.0 Pu Pu2 1 0.75000000 0.74158400 0.43445400 1.0 Pu Pu3 1 0.75000000 0.24158400 0.06554600 1.0 Cu Cu4 1 0.25000000 0.13808100 0.85748500 1.0 Cu Cu5 1 0.25000000 0.63808100 0.64251500 1.0 Cu Cu6 1 0.75000000 0.86191900 0.14251500 1.0 Cu Cu7 1 0.75000000 0.36191900 0.35748500 1.0 Cu Cu8 1 0.25000000 0.81689600 0.24470100 1.0 Cu Cu9 1 0.25000000 0.31689600 0.25529900 1.0 Cu Cu10 1 0.75000000 0.18310400 0.75529900 1.0 Cu Cu11 1 0.75000000 0.68310400 0.74470100 1.0 Cu Cu12 1 0.25000000 0.56282200 0.40414000 1.0 Cu Cu13 1 0.25000000 0.06282200 0.09586000 1.0 Cu Cu14 1 0.75000000 0.43717800 0.59586000 1.0 Cu Cu15 1 0.75000000 0.93717800 0.90414000 1.0 Cu Cu16 1 0.25000000 0.89956700 0.48392400 1.0 Cu Cu17 1 0.25000000 0.39956700 0.01607600 1.0 Cu Cu18 1 0.75000000 0.10043300 0.51607600 1.0 Cu Cu19 1 0.75000000 0.60043300 0.98392400 1.0 Cu Cu20 1 0.00583400 0.43399600 0.80893700 1.0 Cu Cu21 1 0.49416600 0.93399600 0.69106300 1.0 Cu Cu22 1 0.50583400 0.56600400 0.19106300 1.0 Cu Cu23 1 0.99416600 0.06600400 0.30893700 1.0 Cu Cu24 1 0.99416600 0.56600400 0.19106300 1.0 Cu Cu25 1 0.50583400 0.06600400 0.30893700 1.0 Cu Cu26 1 0.49416600 0.43399600 0.80893700 1.0 Cu Cu27 1 0.00583400 0.93399600 0.69106300 1.0