# generated using pymatgen data_Hf9NbRe3B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.50612204 _cell_length_b 8.50612265 _cell_length_c 8.47573028 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000148 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf9NbRe3B _chemical_formula_sum 'Hf18 Nb2 Re6 B2' _cell_volume 531.09352065 _cell_formula_units_Z 2 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 0.20275181 0.79724819 0.44439257 1.0 Hf Hf1 1 0.20275181 0.40550362 0.44439257 1.0 Hf Hf2 1 0.59449638 0.79724819 0.44439257 1.0 Hf Hf3 1 0.79724819 0.20275181 0.55560743 1.0 Hf Hf4 1 0.79724819 0.59449638 0.55560743 1.0 Hf Hf5 1 0.40550362 0.20275181 0.55560743 1.0 Hf Hf6 1 0.79724819 0.20275181 0.94439257 1.0 Hf Hf7 1 0.79724819 0.59449638 0.94439257 1.0 Hf Hf8 1 0.40550362 0.20275181 0.94439257 1.0 Hf Hf9 1 0.20275181 0.79724819 0.05560743 1.0 Hf Hf10 1 0.20275181 0.40550362 0.05560743 1.0 Hf Hf11 1 0.59449638 0.79724819 0.05560743 1.0 Hf Hf12 1 0.54087454 0.45912546 0.25000000 1.0 Hf Hf13 1 0.54087454 0.08174908 0.25000000 1.0 Hf Hf14 1 0.91825092 0.45912546 0.25000000 1.0 Hf Hf15 1 0.45912546 0.54087454 0.75000000 1.0 Hf Hf16 1 0.45912546 0.91825092 0.75000000 1.0 Hf Hf17 1 0.08174908 0.54087454 0.75000000 1.0 Nb Nb18 1 0.00000000 0.00000000 0.50000000 1.0 Nb Nb19 1 0.00000000 0.00000000 0.00000000 1.0 Re Re20 1 0.88610534 0.11389466 0.25000000 1.0 Re Re21 1 0.88610534 0.77221268 0.25000000 1.0 Re Re22 1 0.22778732 0.11389466 0.25000000 1.0 Re Re23 1 0.11389466 0.88610534 0.75000000 1.0 Re Re24 1 0.11389466 0.22778732 0.75000000 1.0 Re Re25 1 0.77221268 0.88610534 0.75000000 1.0 B B26 1 0.33333300 0.66666700 0.25000000 1.0 B B27 1 0.66666700 0.33333300 0.75000000 1.0