# generated using pymatgen data_PuUB8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.11502379 _cell_length_b 7.09375408 _cell_length_c 4.00457092 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PuUB8 _chemical_formula_sum 'Pu2 U2 B16' _cell_volume 202.11962065 _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 0.81221574 0.31162090 0.00000000 1.0 Pu Pu1 1 0.31221574 0.18837910 0.00000000 1.0 U U2 1 0.68860981 0.81015221 0.00000000 1.0 U U3 1 0.18860981 0.68984779 0.00000000 1.0 B B4 1 0.00000206 0.00049538 0.20063297 1.0 B B5 1 0.50000206 0.49950462 0.79936703 1.0 B B6 1 0.00000206 0.00049538 0.79936703 1.0 B B7 1 0.50000206 0.49950462 0.20063297 1.0 B B8 1 0.58803669 0.08521857 0.50000000 1.0 B B9 1 0.08803669 0.41478143 0.50000000 1.0 B B10 1 0.91112134 0.58827046 0.50000000 1.0 B B11 1 0.41112134 0.91172954 0.50000000 1.0 B B12 1 0.03859028 0.17760924 0.50000000 1.0 B B13 1 0.17676802 0.96163260 0.50000000 1.0 B B14 1 0.82271466 0.03741324 0.50000000 1.0 B B15 1 0.96193935 0.82302772 0.50000000 1.0 B B16 1 0.46193935 0.67697228 0.50000000 1.0 B B17 1 0.53859028 0.32239076 0.50000000 1.0 B B18 1 0.67676802 0.53836740 0.50000000 1.0 B B19 1 0.32271466 0.46258676 0.50000000 1.0