data_image0 _chemical_formula_structural CuI2 _chemical_formula_sum "Cu1 I2" _cell_length_a 3.9411041331055716 _cell_length_b 3.9411041331055716 _cell_length_c 18.210146307654696 _cell_angle_alpha 90.0 _cell_angle_beta 90.0 _cell_angle_gamma 120.00000000000001 _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 Cu Cu1 1.0 0.0 0.0 0.4999999997898234 1.0000 I I1 1.0 0.6666666681161316 0.3333333344828983 0.5885570334761547 1.0000 I I2 1.0 0.3333333330179528 0.6666666660359055 0.41144296665263635 1.0000