# generated using pymatgen data_NdUReB6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.68873282 _cell_length_b 9.39505832 _cell_length_c 11.51078550 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NdUReB6 _chemical_formula_sum 'Nd4 U4 Re4 B24' _cell_volume 398.91617040 _cell_formula_units_Z 4 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 Nd Nd0 1 0.00000000 0.33809789 0.40817157 1.0 Nd Nd1 1 0.00000000 0.66190211 0.59182843 1.0 Nd Nd2 1 0.00000000 0.83809789 0.09182843 1.0 Nd Nd3 1 0.00000000 0.16190211 0.90817157 1.0 U U4 1 0.00000000 0.95798968 0.39664107 1.0 U U5 1 0.00000000 0.04201032 0.60335893 1.0 U U6 1 0.00000000 0.45798968 0.10335893 1.0 U U7 1 0.00000000 0.54201032 0.89664107 1.0 Re Re8 1 0.00000000 0.64846157 0.31666390 1.0 Re Re9 1 0.00000000 0.35153843 0.68333610 1.0 Re Re10 1 0.00000000 0.14846157 0.18333610 1.0 Re Re11 1 0.00000000 0.85153843 0.81666390 1.0 B B12 1 0.50000000 0.55646706 0.42733004 1.0 B B13 1 0.50000000 0.44353294 0.57266996 1.0 B B14 1 0.50000000 0.05646706 0.07266996 1.0 B B15 1 0.50000000 0.94353294 0.92733004 1.0 B B16 1 0.50000000 0.74536501 0.42100262 1.0 B B17 1 0.50000000 0.25463499 0.57899738 1.0 B B18 1 0.50000000 0.24536501 0.07899738 1.0 B B19 1 0.50000000 0.75463499 0.92100262 1.0 B B20 1 0.50000000 0.80301911 0.27550744 1.0 B B21 1 0.50000000 0.19698089 0.72449256 1.0 B B22 1 0.50000000 0.30301911 0.22449256 1.0 B B23 1 0.50000000 0.69698089 0.77550744 1.0 B B24 1 0.50000000 0.64543166 0.18786471 1.0 B B25 1 0.50000000 0.35456834 0.81213529 1.0 B B26 1 0.50000000 0.14543166 0.31213529 1.0 B B27 1 0.50000000 0.85456834 0.68786471 1.0 B B28 1 0.50000000 0.99363141 0.22132674 1.0 B B29 1 0.50000000 0.00636859 0.77867326 1.0 B B30 1 0.50000000 0.49363141 0.27867326 1.0 B B31 1 0.50000000 0.50636859 0.72132674 1.0 B B32 1 0.50000000 0.63738316 0.03729499 1.0 B B33 1 0.50000000 0.36261684 0.96270501 1.0 B B34 1 0.50000000 0.13738316 0.46270501 1.0 B B35 1 0.50000000 0.86261684 0.53729499 1.0