# generated using pymatgen data_Zr5(In2Ir)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.41698610 _cell_length_b 7.63993819 _cell_length_c 17.52545120 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr5(In2Ir)2 _chemical_formula_sum 'Zr10 In8 Ir4' _cell_volume 457.51176261 _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 Zr Zr0 1 0.00000000 0.13661137 0.91920867 1.0 Zr Zr1 1 0.00000000 0.75911565 0.77715960 1.0 Zr Zr2 1 0.00000000 0.63661137 0.58079133 1.0 Zr Zr3 1 0.00000000 0.25911565 0.72284040 1.0 Zr Zr4 1 0.00000000 0.36338863 0.41920867 1.0 Zr Zr5 1 0.00000000 0.24088435 0.22284040 1.0 Zr Zr6 1 0.00000000 0.00000000 0.50000000 1.0 Zr Zr7 1 0.00000000 0.74088435 0.27715960 1.0 Zr Zr8 1 0.00000000 0.50000000 0.00000000 1.0 Zr Zr9 1 0.00000000 0.86338863 0.08079133 1.0 In In10 1 0.50000000 0.79976951 0.93322084 1.0 In In11 1 0.50000000 0.56135601 0.14884333 1.0 In In12 1 0.50000000 0.43864399 0.85115667 1.0 In In13 1 0.50000000 0.06135601 0.35115667 1.0 In In14 1 0.50000000 0.29976951 0.56677916 1.0 In In15 1 0.50000000 0.93864399 0.64884333 1.0 In In16 1 0.50000000 0.70023049 0.43322084 1.0 In In17 1 0.50000000 0.20023049 0.06677916 1.0 Ir Ir18 1 0.50000000 0.54918225 0.69274700 1.0 Ir Ir19 1 0.50000000 0.45081775 0.30725300 1.0 Ir Ir20 1 0.50000000 0.04918225 0.80725300 1.0 Ir Ir21 1 0.50000000 0.95081775 0.19274700 1.0