# generated using pymatgen data_HfZrNbGa3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.51696435 _cell_length_b 8.44823106 _cell_length_c 9.16085543 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfZrNbGa3 _chemical_formula_sum 'Hf4 Zr4 Nb4 Ga12' _cell_volume 426.97455107 _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 0.75000000 0.36548451 0.18203191 1.0 Hf Hf1 1 0.25000000 0.63451549 0.81796809 1.0 Hf Hf2 1 0.75000000 0.86548451 0.81796809 1.0 Hf Hf3 1 0.25000000 0.13451549 0.18203191 1.0 Zr Zr4 1 0.75000000 0.46820464 0.62037064 1.0 Zr Zr5 1 0.25000000 0.53179536 0.37962936 1.0 Zr Zr6 1 0.75000000 0.96820464 0.37962936 1.0 Zr Zr7 1 0.25000000 0.03179536 0.62037064 1.0 Nb Nb8 1 0.00000000 0.75000000 0.11076681 1.0 Nb Nb9 1 0.50000000 0.25000000 0.88923319 1.0 Nb Nb10 1 0.00000000 0.25000000 0.88923319 1.0 Nb Nb11 1 0.50000000 0.75000000 0.11076681 1.0 Ga Ga12 1 0.00000000 0.75000000 0.57320783 1.0 Ga Ga13 1 0.50000000 0.25000000 0.42679217 1.0 Ga Ga14 1 0.00000000 0.25000000 0.42679217 1.0 Ga Ga15 1 0.50000000 0.75000000 0.57320783 1.0 Ga Ga16 1 0.75000000 0.04489035 0.08035867 1.0 Ga Ga17 1 0.25000000 0.95510965 0.91964133 1.0 Ga Ga18 1 0.75000000 0.54489035 0.91964133 1.0 Ga Ga19 1 0.25000000 0.45510965 0.08035867 1.0 Ga Ga20 1 0.75000000 0.13102697 0.65223993 1.0 Ga Ga21 1 0.25000000 0.86897303 0.34776007 1.0 Ga Ga22 1 0.75000000 0.63102697 0.34776007 1.0 Ga Ga23 1 0.25000000 0.36897303 0.65223993 1.0