# generated using pymatgen data_PuU3(B6Mo)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.70956816 _cell_length_b 9.27563952 _cell_length_c 11.37260115 _cell_angle_alpha 89.98282209 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PuU3(B6Mo)2 _chemical_formula_sum 'Pu2 U6 B24 Mo4' _cell_volume 391.31546075 _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 0.00000000 0.33445903 0.40776078 1.0 Pu Pu1 1 0.00000000 0.66554097 0.59223922 1.0 U U2 1 0.00000000 0.83488938 0.09242344 1.0 U U3 1 0.00000000 0.16511062 0.90757656 1.0 U U4 1 0.00000000 0.95615882 0.39508076 1.0 U U5 1 0.00000000 0.04384118 0.60491924 1.0 U U6 1 0.00000000 0.45602181 0.10574012 1.0 U U7 1 0.00000000 0.54397819 0.89425988 1.0 B B8 1 0.50000000 0.55136185 0.43135251 1.0 B B9 1 0.50000000 0.44863815 0.56864749 1.0 B B10 1 0.50000000 0.05032173 0.06762702 1.0 B B11 1 0.50000000 0.94967827 0.93237298 1.0 B B12 1 0.50000000 0.74432632 0.42352731 1.0 B B13 1 0.50000000 0.25567368 0.57647269 1.0 B B14 1 0.50000000 0.24331650 0.07592706 1.0 B B15 1 0.50000000 0.75668350 0.92407294 1.0 B B16 1 0.50000000 0.80419573 0.27354373 1.0 B B17 1 0.50000000 0.19580427 0.72645627 1.0 B B18 1 0.50000000 0.30352273 0.22551106 1.0 B B19 1 0.50000000 0.69647727 0.77448894 1.0 B B20 1 0.50000000 0.64487008 0.18728858 1.0 B B21 1 0.50000000 0.35512992 0.81271142 1.0 B B22 1 0.50000000 0.14332556 0.31178691 1.0 B B23 1 0.50000000 0.85667444 0.68821309 1.0 B B24 1 0.50000000 0.98680196 0.21901407 1.0 B B25 1 0.50000000 0.01319804 0.78098593 1.0 B B26 1 0.50000000 0.48712003 0.28009789 1.0 B B27 1 0.50000000 0.51287997 0.71990211 1.0 B B28 1 0.50000000 0.64138673 0.03898607 1.0 B B29 1 0.50000000 0.35861327 0.96101393 1.0 B B30 1 0.50000000 0.13913396 0.46104723 1.0 B B31 1 0.50000000 0.86086604 0.53895277 1.0 Mo Mo32 1 0.00000000 0.64911328 0.31616277 1.0 Mo Mo33 1 0.00000000 0.35088672 0.68383723 1.0 Mo Mo34 1 0.00000000 0.14339157 0.17802219 1.0 Mo Mo35 1 0.00000000 0.85660843 0.82197781 1.0