# generated using pymatgen data_NpScB6Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.53902035 _cell_length_b 9.05377156 _cell_length_c 11.44419029 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NpScB6Rh _chemical_formula_sum 'Np4 Sc4 B24 Rh4' _cell_volume 366.68881486 _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 Np Np0 1 0.00000000 0.32246896 0.41456930 1.0 Np Np1 1 0.00000000 0.67753104 0.58543070 1.0 Np Np2 1 0.00000000 0.82246896 0.08543070 1.0 Np Np3 1 0.00000000 0.17753104 0.91456930 1.0 Sc Sc4 1 0.00000000 0.94571096 0.37442222 1.0 Sc Sc5 1 0.00000000 0.05428904 0.62557778 1.0 Sc Sc6 1 0.00000000 0.44571096 0.12557778 1.0 Sc Sc7 1 0.00000000 0.55428904 0.87442222 1.0 B B8 1 0.50000000 0.55434648 0.43283828 1.0 B B9 1 0.50000000 0.44565352 0.56716172 1.0 B B10 1 0.50000000 0.05434648 0.06716172 1.0 B B11 1 0.50000000 0.94565352 0.93283828 1.0 B B12 1 0.50000000 0.75408930 0.41917502 1.0 B B13 1 0.50000000 0.24591070 0.58082498 1.0 B B14 1 0.50000000 0.25408930 0.08082498 1.0 B B15 1 0.50000000 0.74591070 0.91917502 1.0 B B16 1 0.50000000 0.79658657 0.26438705 1.0 B B17 1 0.50000000 0.20341343 0.73561295 1.0 B B18 1 0.50000000 0.29658657 0.23561295 1.0 B B19 1 0.50000000 0.70341343 0.76438705 1.0 B B20 1 0.50000000 0.63158711 0.18075028 1.0 B B21 1 0.50000000 0.36841289 0.81924972 1.0 B B22 1 0.50000000 0.13158711 0.31924972 1.0 B B23 1 0.50000000 0.86841289 0.68075028 1.0 B B24 1 0.50000000 0.98286125 0.21510263 1.0 B B25 1 0.50000000 0.01713875 0.78489737 1.0 B B26 1 0.50000000 0.48286125 0.28489737 1.0 B B27 1 0.50000000 0.51713875 0.71510263 1.0 B B28 1 0.50000000 0.60087355 0.02673670 1.0 B B29 1 0.50000000 0.39912645 0.97326330 1.0 B B30 1 0.50000000 0.10087355 0.47326330 1.0 B B31 1 0.50000000 0.89912645 0.52673670 1.0 Rh Rh32 1 0.00000000 0.64346495 0.31706465 1.0 Rh Rh33 1 0.00000000 0.35653505 0.68293535 1.0 Rh Rh34 1 0.00000000 0.14346495 0.18293535 1.0 Rh Rh35 1 0.00000000 0.85653505 0.81706465 1.0