# generated using pymatgen data_NpTaCrB6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.37782306 _cell_length_b 8.97710694 _cell_length_c 11.34366329 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NpTaCrB6 _chemical_formula_sum 'Np4 Ta4 Cr4 B24' _cell_volume 343.97479616 _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 0.82158747 0.08552797 1.0 Np Np1 1 0.00000000 0.17841253 0.91447203 1.0 Np Np2 1 0.00000000 0.32158747 0.41447203 1.0 Np Np3 1 0.00000000 0.67841253 0.58552797 1.0 Ta Ta4 1 0.00000000 0.44545728 0.12680449 1.0 Ta Ta5 1 0.00000000 0.55454272 0.87319551 1.0 Ta Ta6 1 0.00000000 0.94545728 0.37319551 1.0 Ta Ta7 1 0.00000000 0.05454272 0.62680449 1.0 Cr Cr8 1 0.00000000 0.14382996 0.18311075 1.0 Cr Cr9 1 0.00000000 0.85617004 0.81688925 1.0 Cr Cr10 1 0.00000000 0.64382996 0.31688925 1.0 Cr Cr11 1 0.00000000 0.35617004 0.68311075 1.0 B B12 1 0.50000000 0.05411246 0.06797799 1.0 B B13 1 0.50000000 0.94588754 0.93202201 1.0 B B14 1 0.50000000 0.55411246 0.43202201 1.0 B B15 1 0.50000000 0.44588754 0.56797799 1.0 B B16 1 0.50000000 0.25478240 0.08197340 1.0 B B17 1 0.50000000 0.74521760 0.91802660 1.0 B B18 1 0.50000000 0.75478240 0.41802660 1.0 B B19 1 0.50000000 0.24521760 0.58197340 1.0 B B20 1 0.50000000 0.29759889 0.23587930 1.0 B B21 1 0.50000000 0.70240111 0.76412070 1.0 B B22 1 0.50000000 0.79759889 0.26412070 1.0 B B23 1 0.50000000 0.20240111 0.73587930 1.0 B B24 1 0.50000000 0.13010909 0.31831978 1.0 B B25 1 0.50000000 0.86989091 0.68168022 1.0 B B26 1 0.50000000 0.63010909 0.18168022 1.0 B B27 1 0.50000000 0.36989091 0.81831978 1.0 B B28 1 0.50000000 0.48131472 0.28572208 1.0 B B29 1 0.50000000 0.51868528 0.71427792 1.0 B B30 1 0.50000000 0.98131472 0.21427792 1.0 B B31 1 0.50000000 0.01868528 0.78572208 1.0 B B32 1 0.50000000 0.09976835 0.47358301 1.0 B B33 1 0.50000000 0.90023165 0.52641699 1.0 B B34 1 0.50000000 0.59976835 0.02641699 1.0 B B35 1 0.50000000 0.40023165 0.97358301 1.0