# generated using pymatgen data_YbHfReB6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.54700952 _cell_length_b 8.99644935 _cell_length_c 11.36177245 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YbHfReB6 _chemical_formula_sum 'Yb4 Hf4 Re4 B24' _cell_volume 362.55974237 _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 Yb Yb0 1 0.00000000 0.32431361 0.41507341 1.0 Yb Yb1 1 0.00000000 0.67568639 0.58492659 1.0 Yb Yb2 1 0.00000000 0.82431361 0.08492659 1.0 Yb Yb3 1 0.00000000 0.17568639 0.91507341 1.0 Hf Hf4 1 0.00000000 0.94500123 0.36927246 1.0 Hf Hf5 1 0.00000000 0.05499877 0.63072754 1.0 Hf Hf6 1 0.00000000 0.44500123 0.13072754 1.0 Hf Hf7 1 0.00000000 0.55499877 0.86927246 1.0 Re Re8 1 0.00000000 0.64328880 0.31654878 1.0 Re Re9 1 0.00000000 0.35671120 0.68345122 1.0 Re Re10 1 0.00000000 0.14328880 0.18345122 1.0 Re Re11 1 0.00000000 0.85671120 0.81654878 1.0 B B12 1 0.50000000 0.55441625 0.43291147 1.0 B B13 1 0.50000000 0.44558375 0.56708853 1.0 B B14 1 0.50000000 0.05441625 0.06708853 1.0 B B15 1 0.50000000 0.94558375 0.93291147 1.0 B B16 1 0.50000000 0.75348814 0.41832393 1.0 B B17 1 0.50000000 0.24651186 0.58167607 1.0 B B18 1 0.50000000 0.25348814 0.08167607 1.0 B B19 1 0.50000000 0.74651186 0.91832393 1.0 B B20 1 0.50000000 0.79688718 0.26327290 1.0 B B21 1 0.50000000 0.20311282 0.73672710 1.0 B B22 1 0.50000000 0.29688718 0.23672710 1.0 B B23 1 0.50000000 0.70311282 0.76327290 1.0 B B24 1 0.50000000 0.63196493 0.18239710 1.0 B B25 1 0.50000000 0.36803507 0.81760290 1.0 B B26 1 0.50000000 0.13196493 0.31760290 1.0 B B27 1 0.50000000 0.86803507 0.68239710 1.0 B B28 1 0.50000000 0.98303815 0.21281198 1.0 B B29 1 0.50000000 0.01696185 0.78718802 1.0 B B30 1 0.50000000 0.48303815 0.28718802 1.0 B B31 1 0.50000000 0.51696185 0.71281198 1.0 B B32 1 0.50000000 0.59712419 0.02567265 1.0 B B33 1 0.50000000 0.40287581 0.97432735 1.0 B B34 1 0.50000000 0.09712419 0.47432735 1.0 B B35 1 0.50000000 0.90287581 0.52567265 1.0