# generated using pymatgen data_NpCrB6Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.31209956 _cell_length_b 8.93844954 _cell_length_c 11.31768783 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NpCrB6Mo _chemical_formula_sum 'Np4 Cr4 B24 Mo4' _cell_volume 335.06054257 _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 0.82060161 0.08597434 1.0 Np Np1 1 0.00000000 0.17939839 0.91402566 1.0 Np Np2 1 0.00000000 0.32060161 0.41402566 1.0 Np Np3 1 0.00000000 0.67939839 0.58597434 1.0 Cr Cr4 1 0.00000000 0.14254160 0.18276690 1.0 Cr Cr5 1 0.00000000 0.85745840 0.81723310 1.0 Cr Cr6 1 0.00000000 0.64254160 0.31723310 1.0 Cr Cr7 1 0.00000000 0.35745840 0.68276690 1.0 B B8 1 0.50000000 0.05433842 0.06705643 1.0 B B9 1 0.50000000 0.94566158 0.93294357 1.0 B B10 1 0.50000000 0.55433842 0.43294357 1.0 B B11 1 0.50000000 0.44566158 0.56705643 1.0 B B12 1 0.50000000 0.25464792 0.08178637 1.0 B B13 1 0.50000000 0.74535208 0.91821363 1.0 B B14 1 0.50000000 0.75464792 0.41821363 1.0 B B15 1 0.50000000 0.24535208 0.58178637 1.0 B B16 1 0.50000000 0.29803813 0.23556612 1.0 B B17 1 0.50000000 0.70196187 0.76443388 1.0 B B18 1 0.50000000 0.79803813 0.26443388 1.0 B B19 1 0.50000000 0.20196187 0.73556612 1.0 B B20 1 0.50000000 0.12922902 0.31871231 1.0 B B21 1 0.50000000 0.87077098 0.68128769 1.0 B B22 1 0.50000000 0.62922902 0.18128769 1.0 B B23 1 0.50000000 0.37077098 0.81871231 1.0 B B24 1 0.50000000 0.48088746 0.28576841 1.0 B B25 1 0.50000000 0.51911254 0.71423159 1.0 B B26 1 0.50000000 0.98088746 0.21423159 1.0 B B27 1 0.50000000 0.01911254 0.78576841 1.0 B B28 1 0.50000000 0.09954262 0.47383685 1.0 B B29 1 0.50000000 0.90045738 0.52616315 1.0 B B30 1 0.50000000 0.59954262 0.02616315 1.0 B B31 1 0.50000000 0.40045738 0.97383685 1.0 Mo Mo32 1 0.00000000 0.44448866 0.12679778 1.0 Mo Mo33 1 0.00000000 0.55551134 0.87320222 1.0 Mo Mo34 1 0.00000000 0.94448866 0.37320222 1.0 Mo Mo35 1 0.00000000 0.05551134 0.62679778 1.0