# generated using pymatgen data_Pu2ReB6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.65408500 _cell_length_b 9.29840700 _cell_length_c 11.42667600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pu2ReB6 _chemical_formula_sum 'Pu8 Re4 B24' _cell_volume 388.24610776 _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 0.00000000 0.33328500 0.40889100 1.0 Pu Pu1 1 0.00000000 0.66671500 0.59110900 1.0 Pu Pu2 1 0.00000000 0.83328500 0.09110900 1.0 Pu Pu3 1 0.00000000 0.16671500 0.90889100 1.0 Pu Pu4 1 0.00000000 0.95311500 0.38959100 1.0 Pu Pu5 1 0.00000000 0.04688500 0.61040900 1.0 Pu Pu6 1 0.00000000 0.45311500 0.11040900 1.0 Pu Pu7 1 0.00000000 0.54688500 0.88959100 1.0 Re Re8 1 0.00000000 0.64338300 0.31975000 1.0 Re Re9 1 0.00000000 0.35661700 0.68025000 1.0 Re Re10 1 0.00000000 0.14338300 0.18025000 1.0 Re Re11 1 0.00000000 0.85661700 0.81975000 1.0 B B12 1 0.50000000 0.55229900 0.43194400 1.0 B B13 1 0.50000000 0.44770100 0.56805600 1.0 B B14 1 0.50000000 0.05229900 0.06805600 1.0 B B15 1 0.50000000 0.94770100 0.93194400 1.0 B B16 1 0.50000000 0.74408500 0.42208600 1.0 B B17 1 0.50000000 0.25591500 0.57791400 1.0 B B18 1 0.50000000 0.24408500 0.07791400 1.0 B B19 1 0.50000000 0.75591500 0.92208600 1.0 B B20 1 0.50000000 0.80010800 0.27150200 1.0 B B21 1 0.50000000 0.19989200 0.72849800 1.0 B B22 1 0.50000000 0.30010800 0.22849800 1.0 B B23 1 0.50000000 0.69989200 0.77150200 1.0 B B24 1 0.50000000 0.64108100 0.18783800 1.0 B B25 1 0.50000000 0.35891900 0.81216200 1.0 B B26 1 0.50000000 0.14108100 0.31216200 1.0 B B27 1 0.50000000 0.85891900 0.68783800 1.0 B B28 1 0.50000000 0.98647500 0.21746300 1.0 B B29 1 0.50000000 0.01352500 0.78253700 1.0 B B30 1 0.50000000 0.48647500 0.28253700 1.0 B B31 1 0.50000000 0.51352500 0.71746300 1.0 B B32 1 0.50000000 0.63750700 0.03783600 1.0 B B33 1 0.50000000 0.36249300 0.96216400 1.0 B B34 1 0.50000000 0.13750700 0.46216400 1.0 B B35 1 0.50000000 0.86249300 0.53783600 1.0