################################################################################ # # # 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 5.430530 _cell_length_b 5.430530 _cell_length_c 5.430530 _cell_angle_alpha 90.000000 _cell_angle_beta 90.000000 _cell_angle_gamma 90.000000 _symmetry_cell_setting 'triclinic' _symmetry_space_group_name_H-M 'P 1' _symmetry_Int_Tables_number 1 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_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Si Si1 0.25000000 0.25000000 0.25000000 1.00000000 Si Si1 0.00000000 0.00000000 0.00000000 1.00000000 Si Si1 0.25000000 0.75000000 0.75000000 1.00000000 Si Si1 0.00000000 0.50000000 0.50000000 1.00000000 Si Si1 0.75000000 0.25000000 0.75000000 1.00000000 Si Si1 0.50000000 0.00000000 0.50000000 1.00000000 Si Si1 0.75000000 0.75000000 0.25000000 1.00000000 Si Si1 0.50000000 0.50000000 0.00000000 1.00000000