# generated using pymatgen data_Ta3Zn3Ir5Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.16705610 _cell_length_b 6.85574348 _cell_length_c 12.49068553 _cell_angle_alpha 90.00000051 _cell_angle_beta 89.99983136 _cell_angle_gamma 90.00012837 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta3Zn3Ir5Ru _chemical_formula_sum 'Ta6 Zn6 Ir10 Ru2' _cell_volume 356.83724770 _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 Ta Ta0 1 0.99999267 0.49999925 0.99908601 1.0 Ta Ta1 1 0.49996563 0.00000015 0.16623808 1.0 Ta Ta2 1 0.99994364 0.50000047 0.33334785 1.0 Ta Ta3 1 0.50000239 0.99999990 0.50044608 1.0 Ta Ta4 1 0.00001382 0.49999896 0.66756007 1.0 Ta Ta5 1 0.50005007 0.99999887 0.83332280 1.0 Zn Zn6 1 0.00001654 0.99999974 0.99812790 1.0 Zn Zn7 1 0.49995989 0.50000000 0.16759999 1.0 Zn Zn8 1 0.99996947 0.00000089 0.33334113 1.0 Zn Zn9 1 0.49999219 0.50000062 0.49907011 1.0 Zn Zn10 1 0.00004034 0.00000016 0.66853949 1.0 Zn Zn11 1 0.50002889 0.50000066 0.83332117 1.0 Ir Ir12 1 0.50000971 0.25045794 0.00131604 1.0 Ir Ir13 1 0.50001018 0.74954130 0.00131598 1.0 Ir Ir14 1 0.99997023 0.24852957 0.16737932 1.0 Ir Ir15 1 0.99996967 0.75147101 0.16737946 1.0 Ir Ir16 1 0.49996239 0.24815000 0.33334251 1.0 Ir Ir17 1 0.49996244 0.75185075 0.33334279 1.0 Ir Ir18 1 0.00000130 0.24852476 0.49929622 1.0 Ir Ir19 1 0.00000069 0.75147568 0.49929661 1.0 Ir Ir20 1 0.50002942 0.25045734 0.66534805 1.0 Ir Ir21 1 0.50002986 0.74954263 0.66534793 1.0 Ru Ru22 1 0.00003820 0.25170299 0.83331914 1.0 Ru Ru23 1 0.00003338 0.74829635 0.83331927 1.0