# generated using pymatgen data_NpScB6Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.56182223 _cell_length_b 9.02093454 _cell_length_c 11.42667990 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NpScB6Os _chemical_formula_sum 'Np4 Sc4 B24 Os4' _cell_volume 367.15025398 _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 0.82089570 0.08532716 1.0 Np Np1 1 0.00000000 0.17910430 0.91467284 1.0 Np Np2 1 0.00000000 0.32089570 0.41467284 1.0 Np Np3 1 0.00000000 0.67910430 0.58532716 1.0 Sc Sc4 1 0.00000000 0.44546322 0.12466076 1.0 Sc Sc5 1 0.00000000 0.55453678 0.87533924 1.0 Sc Sc6 1 0.00000000 0.94546322 0.37533924 1.0 Sc Sc7 1 0.00000000 0.05453678 0.62466076 1.0 B B8 1 0.50000000 0.05486423 0.06813710 1.0 B B9 1 0.50000000 0.94513577 0.93186290 1.0 B B10 1 0.50000000 0.55486423 0.43186290 1.0 B B11 1 0.50000000 0.44513577 0.56813710 1.0 B B12 1 0.50000000 0.25307068 0.08136781 1.0 B B13 1 0.50000000 0.74692932 0.91863219 1.0 B B14 1 0.50000000 0.75307068 0.41863219 1.0 B B15 1 0.50000000 0.24692932 0.58136781 1.0 B B16 1 0.50000000 0.29447386 0.23476585 1.0 B B17 1 0.50000000 0.70552614 0.76523415 1.0 B B18 1 0.50000000 0.79447386 0.26523415 1.0 B B19 1 0.50000000 0.20552614 0.73476585 1.0 B B20 1 0.50000000 0.13050014 0.31762222 1.0 B B21 1 0.50000000 0.86949986 0.68237778 1.0 B B22 1 0.50000000 0.63050014 0.18237778 1.0 B B23 1 0.50000000 0.36949986 0.81762222 1.0 B B24 1 0.50000000 0.48235845 0.28484179 1.0 B B25 1 0.50000000 0.51764155 0.71515821 1.0 B B26 1 0.50000000 0.98235845 0.21515821 1.0 B B27 1 0.50000000 0.01764155 0.78484179 1.0 B B28 1 0.50000000 0.10098798 0.47284518 1.0 B B29 1 0.50000000 0.89901202 0.52715482 1.0 B B30 1 0.50000000 0.60098798 0.02715482 1.0 B B31 1 0.50000000 0.39901202 0.97284518 1.0 Os Os32 1 0.00000000 0.14097929 0.18170255 1.0 Os Os33 1 0.00000000 0.85902071 0.81829745 1.0 Os Os34 1 0.00000000 0.64097929 0.31829745 1.0 Os Os35 1 0.00000000 0.35902071 0.68170255 1.0