# generated using pymatgen data_Zr6Ga5SbRu12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44985860 _cell_length_b 6.30325488 _cell_length_c 13.32327504 _cell_angle_alpha 90.00000000 _cell_angle_beta 89.99996841 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr6Ga5SbRu12 _chemical_formula_sum 'Zr6 Ga5 Sb1 Ru12' _cell_volume 373.69911807 _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 0.00000000 0.50000000 0.00000000 1.0 Zr Zr1 1 0.49999910 0.00000000 0.17222396 1.0 Zr Zr2 1 0.99999795 0.50000000 0.33600674 1.0 Zr Zr3 1 0.50000100 0.00000000 0.50000000 1.0 Zr Zr4 1 0.00000205 0.50000000 0.66399326 1.0 Zr Zr5 1 0.50000290 0.00000000 0.82777604 1.0 Ga Ga6 1 0.49999817 0.50000000 0.16781130 1.0 Ga Ga7 1 0.99999838 0.00000000 0.33378926 1.0 Ga Ga8 1 0.50000100 0.50000000 0.50000000 1.0 Ga Ga9 1 0.00000162 0.00000000 0.66621074 1.0 Ga Ga10 1 0.50000083 0.50000000 0.83218770 1.0 Sb Sb11 1 0.00000000 0.00000000 0.00000000 1.0 Ru Ru12 1 0.50000100 0.25222099 0.00000000 1.0 Ru Ru13 1 0.50000100 0.74777901 0.00000000 1.0 Ru Ru14 1 0.99999796 0.25231738 0.16851521 1.0 Ru Ru15 1 0.99999796 0.74768262 0.16851521 1.0 Ru Ru16 1 0.49999730 0.25161351 0.33437972 1.0 Ru Ru17 1 0.49999730 0.74838649 0.33437972 1.0 Ru Ru18 1 0.00000000 0.24720767 0.50000000 1.0 Ru Ru19 1 0.00000000 0.75279233 0.50000000 1.0 Ru Ru20 1 0.50000170 0.25161351 0.66562028 1.0 Ru Ru21 1 0.50000170 0.74838649 0.66562028 1.0 Ru Ru22 1 0.00000204 0.25231738 0.83148479 1.0 Ru Ru23 1 0.00000204 0.74768262 0.83148479 1.0