# generated using pymatgen data_Pu4B16MoW3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.64085852 _cell_length_b 6.04283383 _cell_length_c 11.65365998 _cell_angle_alpha 89.99564746 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pu4B16MoW3 _chemical_formula_sum 'Pu4 B16 Mo1 W3' _cell_volume 256.39337283 _cell_formula_units_Z 1 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 0.62393872 0.34978488 1.0 Pu Pu1 1 0.00000000 0.37758753 0.65108008 1.0 Pu Pu2 1 0.00000000 0.12385558 0.15045310 1.0 Pu Pu3 1 0.00000000 0.87684670 0.84923176 1.0 B B4 1 0.50000000 0.78705729 0.18634079 1.0 B B5 1 0.50000000 0.21198523 0.81355767 1.0 B B6 1 0.50000000 0.28739698 0.31374875 1.0 B B7 1 0.50000000 0.71358845 0.68601487 1.0 B B8 1 0.50000000 0.86634868 0.03138989 1.0 B B9 1 0.50000000 0.13369015 0.96843707 1.0 B B10 1 0.50000000 0.36562739 0.46893910 1.0 B B11 1 0.50000000 0.63385352 0.53128306 1.0 B B12 1 0.50000000 0.88591175 0.45263232 1.0 B B13 1 0.50000000 0.11414164 0.54769496 1.0 B B14 1 0.50000000 0.38519141 0.04762499 1.0 B B15 1 0.50000000 0.61441123 0.95263147 1.0 B B16 1 0.50000000 0.97472570 0.30754258 1.0 B B17 1 0.50000000 0.02407093 0.69241171 1.0 B B18 1 0.50000000 0.47480855 0.19242360 1.0 B B19 1 0.50000000 0.52553459 0.80758929 1.0 Mo Mo20 1 0.00000000 0.86805057 0.58420082 1.0 W W21 1 0.00000000 0.63361885 0.08509396 1.0 W W22 1 0.00000000 0.36667607 0.91540880 1.0 W W23 1 0.00000000 0.13108248 0.41448649 1.0