################################################################################ # # # Uploaded cif edited by # # SAINT # # Surface and Interface Toolkit for the Materials Chemistry Community # # saint.chem.ucl.ac.uk # # # ################################################################################ data_input _audit_creation_method 'Generated using SAINT' _cell_length_a 3.288600 _cell_length_b 3.288600 _cell_length_c 5.299400 _cell_angle_alpha 90.000000 _cell_angle_beta 90.000000 _cell_angle_gamma 120.000000 _symmetry_Int_Tables_number 186 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 ' -x, -x+y, z+1/2 ' 2 ' x-y, -y, z+1/2 ' 3 ' y, x, z+1/2 ' 4 ' x-y, x, z+1/2 ' 5 ' y, -x+y, z+1/2 ' 6 ' -x, -y, z+1/2 ' 7 ' x, x-y, z ' 8 ' -x+y, y, z ' 9 ' -y, -x, z ' 10 ' -x+y, -x, z ' 11 ' -y, x-y, z ' 12 ' x, y, z ' loop_ _atom_site_type_symbol _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Zn Zn 0.33333333 0.66666667 0.00000000 O O 0.33333333 0.66666667 0.38190000