# generated using pymatgen data_Hf3Zr5(NbGa3)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.52128073 _cell_length_b 8.45938129 _cell_length_c 9.17391828 _cell_angle_alpha 90.01649512 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf3Zr5(NbGa3)4 _chemical_formula_sum 'Hf3 Zr5 Nb4 Ga12' _cell_volume 428.48268714 _cell_formula_units_Z 1 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 0.25000000 0.63472088 0.81807210 1.0 Hf Hf1 1 0.75000000 0.86497513 0.81831547 1.0 Hf Hf2 1 0.25000000 0.13309790 0.18160307 1.0 Zr Zr3 1 0.75000000 0.46817179 0.61950232 1.0 Zr Zr4 1 0.25000000 0.53187703 0.37982771 1.0 Zr Zr5 1 0.75000000 0.96929007 0.37917398 1.0 Zr Zr6 1 0.25000000 0.03156202 0.62116128 1.0 Zr Zr7 1 0.75000000 0.36680186 0.18432010 1.0 Nb Nb8 1 0.00023301 0.75015454 0.11030848 1.0 Nb Nb9 1 0.49967568 0.24933044 0.88814669 1.0 Nb Nb10 1 0.00032432 0.24933044 0.88814669 1.0 Nb Nb11 1 0.49976699 0.75015454 0.11030848 1.0 Ga Ga12 1 0.99990473 0.75031981 0.57333448 1.0 Ga Ga13 1 0.49793848 0.24914024 0.42767948 1.0 Ga Ga14 1 0.00206152 0.24914024 0.42767948 1.0 Ga Ga15 1 0.50009527 0.75031981 0.57333448 1.0 Ga Ga16 1 0.75000000 0.04482271 0.07986502 1.0 Ga Ga17 1 0.25000000 0.95492388 0.91957368 1.0 Ga Ga18 1 0.75000000 0.54459571 0.91877985 1.0 Ga Ga19 1 0.25000000 0.45479273 0.08022064 1.0 Ga Ga20 1 0.75000000 0.13031202 0.65228287 1.0 Ga Ga21 1 0.25000000 0.86870735 0.34778719 1.0 Ga Ga22 1 0.75000000 0.63398843 0.34841767 1.0 Ga Ga23 1 0.25000000 0.36947043 0.65215580 1.0