# generated using pymatgen data_Lu5Pa3(ReB6)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.66771629 _cell_length_b 9.06642268 _cell_length_c 11.41957348 _cell_angle_alpha 90.11502220 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Lu5Pa3(ReB6)4 _chemical_formula_sum 'Lu5 Pa3 Re4 B24' _cell_volume 379.73506714 _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 Lu Lu0 1 0.00000000 0.18047843 0.91375749 1.0 Lu Lu1 1 0.00000000 0.94539498 0.37427979 1.0 Lu Lu2 1 0.00000000 0.05594926 0.62751678 1.0 Lu Lu3 1 0.00000000 0.44300958 0.12437572 1.0 Lu Lu4 1 0.00000000 0.55366344 0.87423375 1.0 Pa Pa5 1 0.00000000 0.32083005 0.41351273 1.0 Pa Pa6 1 0.00000000 0.67846763 0.58747811 1.0 Pa Pa7 1 0.00000000 0.82287298 0.08558822 1.0 Re Re8 1 0.00000000 0.63893219 0.32108541 1.0 Re Re9 1 0.00000000 0.36273862 0.67673437 1.0 Re Re10 1 0.00000000 0.13828281 0.18091423 1.0 Re Re11 1 0.00000000 0.85998000 0.82066360 1.0 B B12 1 0.50000000 0.55414842 0.43237804 1.0 B B13 1 0.50000000 0.44635823 0.56683974 1.0 B B14 1 0.50000000 0.05404135 0.06701524 1.0 B B15 1 0.50000000 0.94633756 0.93302579 1.0 B B16 1 0.50000000 0.75062034 0.41974202 1.0 B B17 1 0.50000000 0.24967473 0.58128842 1.0 B B18 1 0.50000000 0.24948114 0.07868845 1.0 B B19 1 0.50000000 0.75028564 0.91979595 1.0 B B20 1 0.50000000 0.79300672 0.26543608 1.0 B B21 1 0.50000000 0.20700112 0.73526782 1.0 B B22 1 0.50000000 0.29299027 0.23311613 1.0 B B23 1 0.50000000 0.70669375 0.76601087 1.0 B B24 1 0.50000000 0.63113005 0.18394688 1.0 B B25 1 0.50000000 0.36789187 0.81581161 1.0 B B26 1 0.50000000 0.13153931 0.31554866 1.0 B B27 1 0.50000000 0.86910150 0.68567174 1.0 B B28 1 0.50000000 0.98260332 0.21333533 1.0 B B29 1 0.50000000 0.01908176 0.78714535 1.0 B B30 1 0.50000000 0.48214771 0.28511475 1.0 B B31 1 0.50000000 0.51697425 0.71455311 1.0 B B32 1 0.50000000 0.60558763 0.02915981 1.0 B B33 1 0.50000000 0.39238917 0.97003980 1.0 B B34 1 0.50000000 0.10619927 0.47115376 1.0 B B35 1 0.50000000 0.89411891 0.52977343 1.0