data_image0 _chemical_formula_structural PbI2 _chemical_formula_sum "Pb1 I2" _cell_length_a 4.660089701014569 _cell_length_b 4.660089701014569 _cell_length_c 18.734819336916573 _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 Pb Pb1 1.0 0.0 0.0 0.5000000000822914 1.0000 I I1 1.0 0.6666666663516174 0.33333333292094913 0.5996758836025721 1.0000 I I2 1.0 0.33333333292094924 0.6666666658418983 0.4003241165620106 1.0000