# generated using pymatgen data_Zr12Tc6Ir5Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63929453 _cell_length_b 6.54925969 _cell_length_c 13.92032267 _cell_angle_alpha 90.00000000 _cell_angle_beta 89.99996612 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr12Tc6Ir5Os _chemical_formula_sum 'Zr12 Tc6 Ir5 Os1' _cell_volume 422.95431337 _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 0.50000033 0.24896358 0.99847004 1.0 Zr Zr1 1 0.50000033 0.75103742 0.99847004 1.0 Zr Zr2 1 0.99998945 0.24994252 0.16627884 1.0 Zr Zr3 1 0.99998945 0.75005748 0.16627884 1.0 Zr Zr4 1 0.49999024 0.24996258 0.33334329 1.0 Zr Zr5 1 0.49999024 0.75003842 0.33334329 1.0 Zr Zr6 1 0.99999999 0.24994455 0.50039783 1.0 Zr Zr7 1 0.99999999 0.75005545 0.50039783 1.0 Zr Zr8 1 0.50000826 0.24896517 0.66818796 1.0 Zr Zr9 1 0.50000826 0.75103583 0.66818796 1.0 Zr Zr10 1 0.00001005 0.24786367 0.83332396 1.0 Zr Zr11 1 0.00001005 0.75213633 0.83332396 1.0 Tc Tc12 1 0.00000051 0.00000000 0.00090946 1.0 Tc Tc13 1 0.49998984 0.49999900 0.16713776 1.0 Tc Tc14 1 0.99999002 0.00000000 0.33334733 1.0 Tc Tc15 1 0.50000029 0.49999900 0.49953062 1.0 Tc Tc16 1 0.00001029 0.00000000 0.66574229 1.0 Tc Tc17 1 0.50001220 0.49999900 0.83332785 1.0 Ir Ir18 1 0.00000033 0.49999900 0.00040730 1.0 Ir Ir19 1 0.49998720 0.00000000 0.16689923 1.0 Ir Ir20 1 0.99998744 0.49999900 0.33333849 1.0 Ir Ir21 1 0.50000051 0.00000000 0.49977770 1.0 Ir Ir22 1 0.00001176 0.49999900 0.66625490 1.0 Os Os23 1 0.50001098 0.00000000 0.83332223 1.0