# generated using pymatgen data_Lu3Np(ReB6)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.64007698 _cell_length_b 9.05283375 _cell_length_c 11.41112211 _cell_angle_alpha 90.17855805 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Lu3Np(ReB6)2 _chemical_formula_sum 'Lu6 Np2 Re4 B24' _cell_volume 376.02901439 _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 Lu Lu0 1 0.00000000 0.82331880 0.08486782 1.0 Lu Lu1 1 0.00000000 0.17668120 0.91513218 1.0 Lu Lu2 1 0.00000000 0.94403236 0.37060587 1.0 Lu Lu3 1 0.00000000 0.05596764 0.62939413 1.0 Lu Lu4 1 0.00000000 0.44296626 0.12754843 1.0 Lu Lu5 1 0.00000000 0.55703374 0.87245157 1.0 Np Np6 1 0.00000000 0.32186133 0.41323036 1.0 Np Np7 1 0.00000000 0.67813867 0.58676964 1.0 Re Re8 1 0.00000000 0.63697444 0.32193330 1.0 Re Re9 1 0.00000000 0.36302556 0.67806670 1.0 Re Re10 1 0.00000000 0.13952949 0.18051813 1.0 Re Re11 1 0.00000000 0.86047051 0.81948187 1.0 B B12 1 0.50000000 0.55349761 0.43268107 1.0 B B13 1 0.50000000 0.44650239 0.56731893 1.0 B B14 1 0.50000000 0.05298621 0.06612581 1.0 B B15 1 0.50000000 0.94701379 0.93387419 1.0 B B16 1 0.50000000 0.75058446 0.41890628 1.0 B B17 1 0.50000000 0.24941554 0.58109372 1.0 B B18 1 0.50000000 0.24943816 0.07956358 1.0 B B19 1 0.50000000 0.75056184 0.92043642 1.0 B B20 1 0.50000000 0.79290776 0.26418179 1.0 B B21 1 0.50000000 0.20709224 0.73581821 1.0 B B22 1 0.50000000 0.29277581 0.23330650 1.0 B B23 1 0.50000000 0.70722419 0.76669350 1.0 B B24 1 0.50000000 0.63090599 0.18383256 1.0 B B25 1 0.50000000 0.36909401 0.81616744 1.0 B B26 1 0.50000000 0.13070482 0.31444094 1.0 B B27 1 0.50000000 0.86929518 0.68555906 1.0 B B28 1 0.50000000 0.98089494 0.21150215 1.0 B B29 1 0.50000000 0.01910506 0.78849785 1.0 B B30 1 0.50000000 0.48182066 0.28580643 1.0 B B31 1 0.50000000 0.51817934 0.71419357 1.0 B B32 1 0.50000000 0.60157513 0.02839073 1.0 B B33 1 0.50000000 0.39842487 0.97160927 1.0 B B34 1 0.50000000 0.10237351 0.47160730 1.0 B B35 1 0.50000000 0.89762649 0.52839270 1.0