# generated using pymatgen data_HfZr3(NbGa3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.52551071 _cell_length_b 8.47102638 _cell_length_c 9.18166992 _cell_angle_alpha 90.02534081 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfZr3(NbGa3)2 _chemical_formula_sum 'Hf2 Zr6 Nb4 Ga12' _cell_volume 429.76405835 _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 0.75000000 0.86656050 0.81863389 1.0 Hf Hf1 1 0.25000000 0.13343950 0.18136611 1.0 Zr Zr2 1 0.75000000 0.46783582 0.61915008 1.0 Zr Zr3 1 0.25000000 0.53216418 0.38084992 1.0 Zr Zr4 1 0.75000000 0.96933914 0.37845823 1.0 Zr Zr5 1 0.25000000 0.03066086 0.62154177 1.0 Zr Zr6 1 0.75000000 0.36669443 0.18429553 1.0 Zr Zr7 1 0.25000000 0.63330557 0.81570447 1.0 Nb Nb8 1 0.99988877 0.75091503 0.11152587 1.0 Nb Nb9 1 0.49988877 0.24908497 0.88847413 1.0 Nb Nb10 1 0.00011123 0.24908497 0.88847413 1.0 Nb Nb11 1 0.50011123 0.75091503 0.11152587 1.0 Ga Ga12 1 0.99785990 0.75127407 0.57237724 1.0 Ga Ga13 1 0.49785990 0.24872593 0.42762276 1.0 Ga Ga14 1 0.00214010 0.24872593 0.42762276 1.0 Ga Ga15 1 0.50214010 0.75127407 0.57237724 1.0 Ga Ga16 1 0.75000000 0.04508100 0.07980953 1.0 Ga Ga17 1 0.25000000 0.95491900 0.92019047 1.0 Ga Ga18 1 0.75000000 0.54495762 0.91898071 1.0 Ga Ga19 1 0.25000000 0.45504238 0.08101929 1.0 Ga Ga20 1 0.75000000 0.13059888 0.65207911 1.0 Ga Ga21 1 0.25000000 0.86940112 0.34792089 1.0 Ga Ga22 1 0.75000000 0.63371443 0.34856504 1.0 Ga Ga23 1 0.25000000 0.36628557 0.65143496 1.0