# generated using pymatgen data_NpNbB4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.12650851 _cell_length_b 3.12650859 _cell_length_c 7.38230795 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999918 _symmetry_Int_Tables_number 1 _chemical_formula_structural NpNbB4 _chemical_formula_sum 'Np1 Nb1 B4' _cell_volume 62.49453419 _cell_formula_units_Z 1 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 0.00000000 0.50000000 1.0 Nb Nb1 1 0.00000000 0.00000000 0.00000000 1.0 B B2 1 0.66666700 0.33333300 0.77131703 1.0 B B3 1 0.66666700 0.33333300 0.22868297 1.0 B B4 1 0.33333300 0.66666700 0.77131703 1.0 B B5 1 0.33333300 0.66666700 0.22868297 1.0