# generated using pymatgen data_Zr2InIr5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.64097046 _cell_length_b 5.64096943 _cell_length_c 8.21285667 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 94.92526513 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2InIr5 _chemical_formula_sum 'Zr4 In2 Ir10' _cell_volume 260.37257004 _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 0.77185465 0.22814535 0.50000000 1.0 Zr Zr1 1 0.22814535 0.77185465 0.00000000 1.0 Zr Zr2 1 0.22814535 0.77185465 0.50000000 1.0 Zr Zr3 1 0.77185465 0.22814535 0.00000000 1.0 In In4 1 0.50020362 0.50020362 0.75000000 1.0 In In5 1 0.49979638 0.49979638 0.25000000 1.0 Ir Ir6 1 0.74309224 0.74309224 0.00008344 1.0 Ir Ir7 1 0.74309224 0.74309224 0.49991656 1.0 Ir Ir8 1 0.25690776 0.25690776 0.99991656 1.0 Ir Ir9 1 0.25690776 0.25690776 0.50008344 1.0 Ir Ir10 1 0.49998565 0.00010679 0.75000000 1.0 Ir Ir11 1 0.50001435 0.99989321 0.25000000 1.0 Ir Ir12 1 0.00006973 0.00006973 0.25000000 1.0 Ir Ir13 1 0.99993027 0.99993027 0.75000000 1.0 Ir Ir14 1 0.00010679 0.49998565 0.75000000 1.0 Ir Ir15 1 0.99989321 0.50001435 0.25000000 1.0