# generated using pymatgen data_Hf9Re4B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.44328809 _cell_length_b 8.44328809 _cell_length_c 8.57799700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000068 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf9Re4B _chemical_formula_sum 'Hf18 Re8 B2' _cell_volume 529.58994917 _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 0.20110600 0.79889400 0.44555200 1.0 Hf Hf1 1 0.20110600 0.40221200 0.44555200 1.0 Hf Hf2 1 0.59778800 0.79889400 0.44555200 1.0 Hf Hf3 1 0.79889400 0.20110600 0.55444800 1.0 Hf Hf4 1 0.79889400 0.59778800 0.55444800 1.0 Hf Hf5 1 0.40221200 0.20110600 0.55444800 1.0 Hf Hf6 1 0.79889400 0.20110600 0.94555200 1.0 Hf Hf7 1 0.79889400 0.59778800 0.94555200 1.0 Hf Hf8 1 0.40221200 0.20110600 0.94555200 1.0 Hf Hf9 1 0.20110600 0.79889400 0.05444800 1.0 Hf Hf10 1 0.20110600 0.40221200 0.05444800 1.0 Hf Hf11 1 0.59778800 0.79889400 0.05444800 1.0 Hf Hf12 1 0.53999200 0.46000800 0.25000000 1.0 Hf Hf13 1 0.53999200 0.07998400 0.25000000 1.0 Hf Hf14 1 0.92001600 0.46000800 0.25000000 1.0 Hf Hf15 1 0.46000800 0.53999200 0.75000000 1.0 Hf Hf16 1 0.46000800 0.92001600 0.75000000 1.0 Hf Hf17 1 0.07998400 0.53999200 0.75000000 1.0 Re Re18 1 0.88955500 0.11044500 0.25000000 1.0 Re Re19 1 0.88955500 0.77911100 0.25000000 1.0 Re Re20 1 0.22088900 0.11044500 0.25000000 1.0 Re Re21 1 0.11044500 0.88955500 0.75000000 1.0 Re Re22 1 0.11044500 0.22088900 0.75000000 1.0 Re Re23 1 0.77911100 0.88955500 0.75000000 1.0 Re Re24 1 0.00000000 0.00000000 0.50000000 1.0 Re Re25 1 0.00000000 0.00000000 0.00000000 1.0 B B26 1 0.33333300 0.66666700 0.25000000 1.0 B B27 1 0.66666700 0.33333300 0.75000000 1.0