# generated using pymatgen data_NpFeB4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.42355546 _cell_length_b 5.92501520 _cell_length_c 11.46148603 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NpFeB4 _chemical_formula_sum 'Np4 Fe4 B16' _cell_volume 232.49186747 _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 0.50000000 0.37356311 0.15042659 1.0 Np Np1 1 0.50000000 0.62643689 0.84957341 1.0 Np Np2 1 0.50000000 0.12643689 0.65042659 1.0 Np Np3 1 0.50000000 0.87356311 0.34957341 1.0 Fe Fe4 1 0.50000000 0.37370859 0.41674488 1.0 Fe Fe5 1 0.50000000 0.62629141 0.58325512 1.0 Fe Fe6 1 0.50000000 0.12629141 0.91674488 1.0 Fe Fe7 1 0.50000000 0.87370859 0.08325512 1.0 B B8 1 0.00000000 0.11355833 0.04632027 1.0 B B9 1 0.00000000 0.88644167 0.95367973 1.0 B B10 1 0.00000000 0.38644167 0.54632027 1.0 B B11 1 0.00000000 0.61355833 0.45367973 1.0 B B12 1 0.00000000 0.13784471 0.46715553 1.0 B B13 1 0.00000000 0.86215529 0.53284447 1.0 B B14 1 0.00000000 0.36215529 0.96715553 1.0 B B15 1 0.00000000 0.63784471 0.03284447 1.0 B B16 1 0.00000000 0.02746923 0.19102732 1.0 B B17 1 0.00000000 0.97253077 0.80897268 1.0 B B18 1 0.00000000 0.47253077 0.69102732 1.0 B B19 1 0.00000000 0.52746923 0.30897268 1.0 B B20 1 0.00000000 0.22070023 0.31590099 1.0 B B21 1 0.00000000 0.77929977 0.68409901 1.0 B B22 1 0.00000000 0.27929977 0.81590099 1.0 B B23 1 0.00000000 0.72070023 0.18409901 1.0