# generated using pymatgen data_Hf3Al2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.86770743 _cell_length_b 7.53562323 _cell_length_c 7.53562323 _cell_angle_alpha 90.00000152 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf3Al2 _chemical_formula_sum 'Hf12 Al8' _cell_volume 389.98700698 _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 0.34549202 0.34549202 1.0 Hf Hf1 1 0.50000000 0.15451034 0.84548966 1.0 Hf Hf2 1 0.50000000 0.84548966 0.15451034 1.0 Hf Hf3 1 -0.00000000 0.65450798 0.65450798 1.0 Hf Hf4 1 -0.00000000 0.20219261 0.79780739 1.0 Hf Hf5 1 0.50000000 0.70219257 0.70219257 1.0 Hf Hf6 1 0.50000000 0.29780743 0.29780743 1.0 Hf Hf7 1 -0.00000000 0.79780739 0.20219261 1.0 Hf Hf8 1 0.24997526 0.00000000 0.50000000 1.0 Hf Hf9 1 0.75002474 0.00000000 0.50000000 1.0 Hf Hf10 1 0.24997526 0.50000000 0.00000000 1.0 Hf Hf11 1 0.75002474 0.50000000 0.00000000 1.0 Al Al12 1 0.20982481 0.12126595 0.12126595 1.0 Al Al13 1 0.70983104 0.37873552 0.62126448 1.0 Al Al14 1 0.70983104 0.62126448 0.37873552 1.0 Al Al15 1 0.20982481 0.87873405 0.87873405 1.0 Al Al16 1 0.29016896 0.62126448 0.37873552 1.0 Al Al17 1 0.29016896 0.37873552 0.62126448 1.0 Al Al18 1 0.79017519 0.12126595 0.12126595 1.0 Al Al19 1 0.79017519 0.87873405 0.87873405 1.0