# generated using pymatgen data_Sc6Ga6Ir11Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.40404631 _cell_length_b 6.20603658 _cell_length_c 13.21345402 _cell_angle_alpha 90.00019796 _cell_angle_beta 90.00006929 _cell_angle_gamma 90.00005735 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc6Ga6Ir11Ru _chemical_formula_sum 'Sc6 Ga6 Ir11 Ru1' _cell_volume 361.14579731 _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 Sc Sc0 1 0.00000092 0.50159496 0.99824614 1.0 Sc Sc1 1 0.49999544 0.00021962 0.16636451 1.0 Sc Sc2 1 0.99999255 0.49976089 0.33332732 1.0 Sc Sc3 1 0.49999986 0.00021820 0.50029707 1.0 Sc Sc4 1 0.00000745 0.50159829 0.66842748 1.0 Sc Sc5 1 0.50000598 0.99680844 0.83333899 1.0 Ga Ga6 1 0.00000068 0.99699948 0.99724000 1.0 Ga Ga7 1 0.49999521 0.50082800 0.16598303 1.0 Ga Ga8 1 0.99999426 0.99970526 0.33334807 1.0 Ga Ga9 1 0.49999870 0.50082755 0.50069837 1.0 Ga Ga10 1 0.00001090 0.99700975 0.66941203 1.0 Ga Ga11 1 0.50000426 0.50452886 0.83331884 1.0 Ir Ir12 1 0.50000066 0.24983075 0.00043348 1.0 Ir Ir13 1 0.50000119 0.75002228 0.00091406 1.0 Ir Ir14 1 0.99999447 0.25010723 0.16626687 1.0 Ir Ir15 1 0.99999748 0.75014593 0.16714646 1.0 Ir Ir16 1 0.49999124 0.25034461 0.33333351 1.0 Ir Ir17 1 0.49999316 0.74994316 0.33333326 1.0 Ir Ir18 1 0.99999868 0.25011938 0.50039860 1.0 Ir Ir19 1 0.99999939 0.75013886 0.49952113 1.0 Ir Ir20 1 0.50000561 0.24982008 0.66623236 1.0 Ir Ir21 1 0.50000809 0.75003333 0.66575229 1.0 Ir Ir22 1 0.00000527 0.24986370 0.83333323 1.0 Ru Ru23 1 0.00000656 0.74953438 0.83333291 1.0