data_image0 _chemical_formula_structural I2Zr2 _chemical_formula_sum "I2 Zr2" _cell_length_a 4.465743622667208 _cell_length_b 4.467204955632132 _cell_length_c 18.85580293064 _cell_angle_alpha 90.0 _cell_angle_beta 90.0 _cell_angle_gamma 119.98917935496479 _space_group_name_H-M_alt "P 1" _space_group_IT_number 1 loop_ _space_group_symop_operation_xyz '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 I I1 1.0 2.617137923867689e-06 7.815202732989682e-05 0.3835742324135725 1.0000 I I2 1.0 0.3333307043664911 0.6665885392668905 0.6164909995129373 1.0000 Zr Zr1 1.0 1.0190246769816675e-05 6.614918193977474e-05 0.5429408415464606 1.0000 Zr Zr2 1.0 0.3333231057868526 0.6666005391607466 0.45713523099894804 1.0000