# generated using pymatgen data_HfPaReB6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.61499177 _cell_length_b 9.02091180 _cell_length_c 11.38034666 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfPaReB6 _chemical_formula_sum 'Hf4 Pa4 Re4 B24' _cell_volume 371.11904397 _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 Hf Hf0 1 0.00000000 0.94576397 0.37432600 1.0 Hf Hf1 1 0.00000000 0.05423603 0.62567400 1.0 Hf Hf2 1 0.00000000 0.44576397 0.12567400 1.0 Hf Hf3 1 0.00000000 0.55423603 0.87432600 1.0 Pa Pa4 1 0.00000000 0.32309255 0.41380889 1.0 Pa Pa5 1 0.00000000 0.67690745 0.58619111 1.0 Pa Pa6 1 0.00000000 0.82309255 0.08619111 1.0 Pa Pa7 1 0.00000000 0.17690745 0.91380889 1.0 Re Re8 1 0.00000000 0.64158179 0.31939645 1.0 Re Re9 1 0.00000000 0.35841821 0.68060355 1.0 Re Re10 1 0.00000000 0.14158179 0.18060355 1.0 Re Re11 1 0.00000000 0.85841821 0.81939645 1.0 B B12 1 0.50000000 0.55324358 0.43388752 1.0 B B13 1 0.50000000 0.44675642 0.56611248 1.0 B B14 1 0.50000000 0.05324358 0.06611248 1.0 B B15 1 0.50000000 0.94675642 0.93388752 1.0 B B16 1 0.50000000 0.75335338 0.41903182 1.0 B B17 1 0.50000000 0.24664662 0.58096818 1.0 B B18 1 0.50000000 0.25335338 0.08096818 1.0 B B19 1 0.50000000 0.74664662 0.91903182 1.0 B B20 1 0.50000000 0.79631503 0.26465080 1.0 B B21 1 0.50000000 0.20368497 0.73534920 1.0 B B22 1 0.50000000 0.29631503 0.23534920 1.0 B B23 1 0.50000000 0.70368497 0.76465080 1.0 B B24 1 0.50000000 0.63101389 0.18241750 1.0 B B25 1 0.50000000 0.36898611 0.81758250 1.0 B B26 1 0.50000000 0.13101389 0.31758250 1.0 B B27 1 0.50000000 0.86898611 0.68241750 1.0 B B28 1 0.50000000 0.98117308 0.21470464 1.0 B B29 1 0.50000000 0.01882692 0.78529536 1.0 B B30 1 0.50000000 0.48117308 0.28529536 1.0 B B31 1 0.50000000 0.51882692 0.71470464 1.0 B B32 1 0.50000000 0.60225493 0.02761507 1.0 B B33 1 0.50000000 0.39774507 0.97238493 1.0 B B34 1 0.50000000 0.10225493 0.47238493 1.0 B B35 1 0.50000000 0.89774507 0.52761507 1.0