# generated using pymatgen data_Pu(BRu)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.18547743 _cell_length_b 9.18547743 _cell_length_c 9.18547743 _cell_angle_alpha 132.12725883 _cell_angle_beta 132.12725883 _cell_angle_gamma 70.02810952 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pu(BRu)4 _chemical_formula_sum 'Pu4 B16 Ru16' _cell_volume 417.93805536 _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 0.25000000 0.00000000 1.0 Pu Pu1 1 0.75000000 0.75000000 0.00000000 1.0 Pu Pu2 1 0.50000000 0.00000000 0.50000000 1.0 Pu Pu3 1 0.00000000 0.50000000 0.50000000 1.0 B B4 1 0.22408100 0.91468300 0.97320800 1.0 B B5 1 0.72408100 0.75087400 0.30939900 1.0 B B6 1 0.16468300 0.97408100 0.47320800 1.0 B B7 1 0.66468300 0.19147500 0.19060100 1.0 B B8 1 0.52591900 0.33531700 0.52679200 1.0 B B9 1 0.02591900 0.49912600 0.19060100 1.0 B B10 1 0.58531700 0.27591900 0.02679200 1.0 B B11 1 0.08531700 0.05852500 0.30939900 1.0 B B12 1 0.44147500 0.41468300 0.69060100 1.0 B B13 1 0.94147500 0.25087400 0.02679200 1.0 B B14 1 0.00087400 0.47408100 0.80939900 1.0 B B15 1 0.50087400 0.69147500 0.52679200 1.0 B B16 1 0.30852500 0.83531700 0.80939900 1.0 B B17 1 0.80852500 0.99912600 0.47320800 1.0 B B18 1 0.74912600 0.77591900 0.69060100 1.0 B B19 1 0.24912600 0.55852500 0.97320800 1.0 Ru Ru20 1 0.53727400 0.07321900 0.23480700 1.0 Ru Ru21 1 0.03727400 0.80246800 0.46405500 1.0 Ru Ru22 1 0.32321900 0.28727400 0.73480700 1.0 Ru Ru23 1 0.82321900 0.08841300 0.03594500 1.0 Ru Ru24 1 0.21272600 0.17678100 0.26519300 1.0 Ru Ru25 1 0.71272600 0.44753200 0.03594500 1.0 Ru Ru26 1 0.42678100 0.96272600 0.76519300 1.0 Ru Ru27 1 0.92678100 0.16158700 0.46405500 1.0 Ru Ru28 1 0.33841300 0.57321900 0.53594500 1.0 Ru Ru29 1 0.83841300 0.30246800 0.76519300 1.0 Ru Ru30 1 0.05246800 0.78727400 0.96405500 1.0 Ru Ru31 1 0.55246800 0.58841300 0.26519300 1.0 Ru Ru32 1 0.41158700 0.67678100 0.96405500 1.0 Ru Ru33 1 0.91158700 0.94753200 0.73480700 1.0 Ru Ru34 1 0.69753200 0.46272600 0.53594500 1.0 Ru Ru35 1 0.19753200 0.66158700 0.23480700 1.0