# generated using pymatgen data_Hf9B2Mo3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.39368883 _cell_length_b 8.39368883 _cell_length_c 8.45937700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000656 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf9B2Mo3 _chemical_formula_sum 'Hf18 B4 Mo6' _cell_volume 516.14855214 _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 0.20078900 0.79921100 0.94502600 1.0 Hf Hf1 1 0.20078900 0.40157800 0.94502600 1.0 Hf Hf2 1 0.59842200 0.79921100 0.94502600 1.0 Hf Hf3 1 0.79921100 0.20078900 0.05497400 1.0 Hf Hf4 1 0.79921100 0.59842200 0.05497400 1.0 Hf Hf5 1 0.40157800 0.20078900 0.05497400 1.0 Hf Hf6 1 0.79921100 0.20078900 0.44502600 1.0 Hf Hf7 1 0.79921100 0.59842200 0.44502600 1.0 Hf Hf8 1 0.40157800 0.20078900 0.44502600 1.0 Hf Hf9 1 0.20078900 0.79921100 0.55497400 1.0 Hf Hf10 1 0.20078900 0.40157800 0.55497400 1.0 Hf Hf11 1 0.59842200 0.79921100 0.55497400 1.0 Hf Hf12 1 0.54062800 0.45937200 0.75000000 1.0 Hf Hf13 1 0.54062800 0.08125500 0.75000000 1.0 Hf Hf14 1 0.91874500 0.45937200 0.75000000 1.0 Hf Hf15 1 0.45937200 0.54062800 0.25000000 1.0 Hf Hf16 1 0.45937200 0.91874500 0.25000000 1.0 Hf Hf17 1 0.08125500 0.54062800 0.25000000 1.0 B B18 1 0.00000000 0.00000000 0.00000000 1.0 B B19 1 0.00000000 0.00000000 0.50000000 1.0 B B20 1 0.33333300 0.66666700 0.75000000 1.0 B B21 1 0.66666700 0.33333300 0.25000000 1.0 Mo Mo22 1 0.89177300 0.10822700 0.75000000 1.0 Mo Mo23 1 0.89177300 0.78354600 0.75000000 1.0 Mo Mo24 1 0.21645400 0.10822700 0.75000000 1.0 Mo Mo25 1 0.10822700 0.89177300 0.25000000 1.0 Mo Mo26 1 0.10822700 0.21645400 0.25000000 1.0 Mo Mo27 1 0.78354600 0.89177300 0.25000000 1.0