# generated using pymatgen data_YbPu(BH4)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.61973206 _cell_length_b 6.67446460 _cell_length_c 4.35666841 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 89.57589592 _symmetry_Int_Tables_number 1 _chemical_formula_structural YbPu(BH4)4 _chemical_formula_sum 'Yb1 Pu1 B4 H16' _cell_volume 192.48613626 _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 Yb Yb0 1 0.00000000 0.50000000 0.52424161 1.0 Pu Pu1 1 0.50000000 0.00000000 0.02485593 1.0 B B2 1 0.22857048 0.32145191 0.02423711 1.0 B B3 1 0.77142952 0.67854809 0.02423711 1.0 B B4 1 0.30390425 0.76577052 0.52095844 1.0 B B5 1 0.69609575 0.23422948 0.52095844 1.0 H H6 1 0.15706613 0.48897889 0.02489887 1.0 H H7 1 0.84293387 0.51102111 0.02489887 1.0 H H8 1 0.41102415 0.34532158 0.02565143 1.0 H H9 1 0.58897585 0.65467842 0.02565143 1.0 H H10 1 0.17580677 0.22642251 0.25156639 1.0 H H11 1 0.82419323 0.77357749 0.25156639 1.0 H H12 1 0.21577131 0.81425790 0.28379242 1.0 H H13 1 0.78422869 0.18574210 0.28379242 1.0 H H14 1 0.47502614 0.83631576 0.52636951 1.0 H H15 1 0.52497386 0.16368424 0.52636951 1.0 H H16 1 0.32984590 0.58580441 0.52948871 1.0 H H17 1 0.67015410 0.41419559 0.52948871 1.0 H H18 1 0.20405176 0.82346702 0.74152464 1.0 H H19 1 0.79594824 0.17653298 0.74152464 1.0 H H20 1 0.17716375 0.22804888 0.79496823 1.0 H H21 1 0.82283625 0.77195112 0.79496823 1.0