# generated using pymatgen data_Zr12ReTc6Ir5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.64322494 _cell_length_b 6.55727435 _cell_length_c 13.92187295 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00016933 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr12ReTc6Ir5 _chemical_formula_sum 'Zr12 Re1 Tc6 Ir5' _cell_volume 423.87787023 _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 Zr Zr0 1 0.50000000 0.25276851 0.00000000 1.0 Zr Zr1 1 0.50000000 0.74723249 0.00000000 1.0 Zr Zr2 1 0.99998613 0.25153963 0.16455408 1.0 Zr Zr3 1 0.99998613 0.74845937 0.16455408 1.0 Zr Zr4 1 0.49999204 0.25027718 0.33265831 1.0 Zr Zr5 1 0.49999204 0.74972382 0.33265831 1.0 Zr Zr6 1 0.00000000 0.25002279 0.50000000 1.0 Zr Zr7 1 0.00000000 0.74997621 0.50000000 1.0 Zr Zr8 1 0.50000796 0.25027718 0.66734069 1.0 Zr Zr9 1 0.50000796 0.74972382 0.66734069 1.0 Zr Zr10 1 0.00001387 0.25153963 0.83544592 1.0 Zr Zr11 1 0.00001387 0.74845937 0.83544592 1.0 Re Re12 1 0.00000000 0.50000000 0.00000000 1.0 Tc Tc13 1 0.00000000 0.00000000 0.00000000 1.0 Tc Tc14 1 0.49998929 0.50000000 0.16919758 1.0 Tc Tc15 1 0.99998880 0.00000000 0.33447464 1.0 Tc Tc16 1 0.50000000 0.50000000 0.50000000 1.0 Tc Tc17 1 0.00001120 0.00000000 0.66552536 1.0 Tc Tc18 1 0.50001071 0.50000000 0.83080242 1.0 Ir Ir19 1 0.49999599 0.00000000 0.16789646 1.0 Ir Ir20 1 0.99999316 0.50000000 0.33434361 1.0 Ir Ir21 1 0.50000000 0.00000000 0.50000000 1.0 Ir Ir22 1 0.00000684 0.50000000 0.66565639 1.0 Ir Ir23 1 0.50000401 0.00000000 0.83210354 1.0