# generated using pymatgen data_Pu3ScBi2Sb3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.42480581 _cell_length_b 9.42005350 _cell_length_c 6.44580368 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.76117813 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pu3ScBi2Sb3 _chemical_formula_sum 'Pu6 Sc2 Bi4 Sb6' _cell_volume 496.79086899 _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 0.99966786 0.62006011 0.25000000 1.0 Pu Pu1 1 0.38352518 0.38261307 0.25000000 1.0 Pu Pu2 1 0.37925839 0.99926596 0.75000000 1.0 Pu Pu3 1 0.61647482 0.61738693 0.75000000 1.0 Pu Pu4 1 0.62074161 0.00073404 0.25000000 1.0 Pu Pu5 1 0.00033214 0.37993989 0.75000000 1.0 Sc Sc6 1 0.00000000 0.00000000 0.00000000 1.0 Sc Sc7 1 0.00000000 0.00000000 0.50000000 1.0 Bi Bi8 1 0.33163585 0.66754755 0.49926765 1.0 Bi Bi9 1 0.66836415 0.33245245 0.99926765 1.0 Bi Bi10 1 0.33163585 0.66754755 0.00073235 1.0 Bi Bi11 1 0.66836415 0.33245245 0.50073235 1.0 Sb Sb12 1 0.00091002 0.26476506 0.25000000 1.0 Sb Sb13 1 0.26243699 0.26208809 0.75000000 1.0 Sb Sb14 1 0.73635060 0.00020699 0.75000000 1.0 Sb Sb15 1 0.99908998 0.73523494 0.75000000 1.0 Sb Sb16 1 0.73756301 0.73791191 0.25000000 1.0 Sb Sb17 1 0.26364940 0.99979301 0.25000000 1.0