# generated using pymatgen data_Pb11(CN5)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 16.23163100 _cell_length_b 16.23163100 _cell_length_c 3.60557700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pb11(CN5)2 _chemical_formula_sum 'Pb22 C4 N20' _cell_volume 949.94639073 _cell_formula_units_Z 2 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_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pb Pb0 1 0.50000000 0.50000000 0.50000000 1.0 Pb Pb1 1 0.00000000 0.00000000 0.00000000 1.0 Pb Pb2 1 0.98947200 0.79361700 0.50000000 1.0 Pb Pb3 1 0.01052800 0.20638300 0.50000000 1.0 Pb Pb4 1 0.51052800 0.29361700 0.00000000 1.0 Pb Pb5 1 0.48947200 0.70638300 0.00000000 1.0 Pb Pb6 1 0.79361700 0.98947200 0.50000000 1.0 Pb Pb7 1 0.20638300 0.01052800 0.50000000 1.0 Pb Pb8 1 0.29361700 0.51052800 0.00000000 1.0 Pb Pb9 1 0.70638300 0.48947200 0.00000000 1.0 Pb Pb10 1 0.66722800 0.66722800 0.50000000 1.0 Pb Pb11 1 0.33277200 0.33277200 0.50000000 1.0 Pb Pb12 1 0.83277200 0.16722800 0.00000000 1.0 Pb Pb13 1 0.16722800 0.83277200 0.00000000 1.0 Pb Pb14 1 0.36576100 0.87268600 0.50000000 1.0 Pb Pb15 1 0.63423900 0.12731400 0.50000000 1.0 Pb Pb16 1 0.13423900 0.37268600 0.00000000 1.0 Pb Pb17 1 0.86576100 0.62731400 0.00000000 1.0 Pb Pb18 1 0.87268600 0.36576100 0.50000000 1.0 Pb Pb19 1 0.12731400 0.63423900 0.50000000 1.0 Pb Pb20 1 0.37268600 0.13423900 0.00000000 1.0 Pb Pb21 1 0.62731400 0.86576100 0.00000000 1.0 C C22 1 0.32571500 0.67428500 0.50000000 1.0 C C23 1 0.67428500 0.32571500 0.50000000 1.0 C C24 1 0.17428500 0.17428500 0.00000000 1.0 C C25 1 0.82571500 0.82571500 0.00000000 1.0 N N26 1 0.08840100 0.91159900 0.50000000 1.0 N N27 1 0.91159900 0.08840100 0.50000000 1.0 N N28 1 0.41159900 0.41159900 0.00000000 1.0 N N29 1 0.58840100 0.58840100 0.00000000 1.0 N N30 1 0.42745000 0.21181600 0.50000000 1.0 N N31 1 0.57255000 0.78818400 0.50000000 1.0 N N32 1 0.07255000 0.71181600 0.00000000 1.0 N N33 1 0.92745000 0.28818400 0.00000000 1.0 N N34 1 0.21181600 0.42745000 0.50000000 1.0 N N35 1 0.78818400 0.57255000 0.50000000 1.0 N N36 1 0.71181600 0.07255000 0.00000000 1.0 N N37 1 0.28818400 0.92745000 0.00000000 1.0 N N38 1 0.27181100 0.72818900 0.50000000 1.0 N N39 1 0.72818900 0.27181100 0.50000000 1.0 N N40 1 0.22818900 0.22818900 0.00000000 1.0 N N41 1 0.77181100 0.77181100 0.00000000 1.0 N N42 1 0.38011700 0.61988300 0.50000000 1.0 N N43 1 0.61988300 0.38011700 0.50000000 1.0 N N44 1 0.11988300 0.11988300 0.00000000 1.0 N N45 1 0.88011700 0.88011700 0.00000000 1.0