data_FA_Cl _audit_creation_date 2022-05-24 _audit_creation_method 'Materials Studio' _symmetry_space_group_name_H-M 'P21/C' _symmetry_Int_Tables_number 14 _symmetry_cell_setting monoclinic loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,y+1/2,-z+1/2 -x,-y,-z x,-y+1/2,z+1/2 _cell_length_a 9.6732 _cell_length_b 8.3902 _cell_length_c 9.4058 _cell_angle_alpha 90.0000 _cell_angle_beta 45.9126 _cell_angle_gamma 90.0000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cl Cl 1.25051 0.40686 0.16259 1.00 C C 0.67335 0.27707 0.56568 1.00 N1 N 0.80767 0.35239 0.54157 1.00 N2 N 0.48831 0.27968 0.72661 1.00 H1 H 0.71884 0.20223 0.44321 1.00 H1A H 0.95013 0.34893 0.40719 1.00 H1B H 0.77545 0.42752 0.64960 1.00 H2A H 0.39705 0.21848 0.72351 1.00 H2B H 0.42838 0.33744 0.85679 1.00