# generated using pymatgen data_NdHfCrB6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.52014585 _cell_length_b 9.08003804 _cell_length_c 11.51970880 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NdHfCrB6 _chemical_formula_sum 'Nd4 Hf4 Cr4 B24' _cell_volume 368.20512338 _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 Nd Nd0 1 0.00000000 0.82275817 0.08462271 1.0 Nd Nd1 1 0.00000000 0.17724183 0.91537729 1.0 Nd Nd2 1 0.00000000 0.32275817 0.41537729 1.0 Nd Nd3 1 0.00000000 0.67724183 0.58462271 1.0 Hf Hf4 1 0.00000000 0.44487826 0.12903325 1.0 Hf Hf5 1 0.00000000 0.55512174 0.87096675 1.0 Hf Hf6 1 0.00000000 0.94487826 0.37096675 1.0 Hf Hf7 1 0.00000000 0.05512174 0.62903325 1.0 Cr Cr8 1 0.00000000 0.14352055 0.18417274 1.0 Cr Cr9 1 0.00000000 0.85647945 0.81582726 1.0 Cr Cr10 1 0.00000000 0.64352055 0.31582726 1.0 Cr Cr11 1 0.00000000 0.35647945 0.68417274 1.0 B B12 1 0.50000000 0.05739190 0.07153950 1.0 B B13 1 0.50000000 0.94260810 0.92846050 1.0 B B14 1 0.50000000 0.55739190 0.42846050 1.0 B B15 1 0.50000000 0.44260810 0.57153950 1.0 B B16 1 0.50000000 0.25400013 0.08521193 1.0 B B17 1 0.50000000 0.74599987 0.91478807 1.0 B B18 1 0.50000000 0.75400013 0.41478807 1.0 B B19 1 0.50000000 0.24599987 0.58521193 1.0 B B20 1 0.50000000 0.29549248 0.23474279 1.0 B B21 1 0.50000000 0.70450752 0.76525721 1.0 B B22 1 0.50000000 0.79549248 0.26525721 1.0 B B23 1 0.50000000 0.20450752 0.73474279 1.0 B B24 1 0.50000000 0.12946656 0.31622007 1.0 B B25 1 0.50000000 0.87053344 0.68377993 1.0 B B26 1 0.50000000 0.62946656 0.18377993 1.0 B B27 1 0.50000000 0.37053344 0.81622007 1.0 B B28 1 0.50000000 0.48447130 0.28461782 1.0 B B29 1 0.50000000 0.51552870 0.71538218 1.0 B B30 1 0.50000000 0.98447130 0.21538218 1.0 B B31 1 0.50000000 0.01552870 0.78461782 1.0 B B32 1 0.50000000 0.09673082 0.47453866 1.0 B B33 1 0.50000000 0.90326918 0.52546134 1.0 B B34 1 0.50000000 0.59673082 0.02546134 1.0 B B35 1 0.50000000 0.40326918 0.97453866 1.0