data_global _amcsd_formula_title 'Pt(NCO)2(C12H12N2)' loop_ _publ_author_name 'Marsh R E' _journal_name_full 'Acta Crystallographica, Section A' _journal_volume 50 _journal_year 1994 _journal_page_first 450 _journal_page_last 455 _publ_section_title ; The centrosymmetric - noncentrosymmetric ambiguity: some more examples ; _database_code_amcsd 0009332 _chemical_formula_sum 'Pt N4 C14 O2' _cell_length_a 18.722 _cell_length_b 11.889 _cell_length_c 6.688 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1488.654 _exptl_crystal_density_diffrn 2.013 _symmetry_space_group_name_H-M 'C m c m' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '-x,y,1/2-z' '1/2-x,1/2+y,1/2-z' '-x,y,z' '1/2-x,1/2+y,z' 'x,-y,-z' '1/2+x,1/2-y,-z' 'x,y,1/2-z' '1/2+x,1/2+y,1/2-z' '-x,-y,1/2+z' '1/2-x,1/2-y,1/2+z' '-x,-y,-z' '1/2-x,1/2-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Pt 0.00000 0.54260 0.25000 0.03390 N1 0.06930 0.41390 0.25000 0.03600 C1 0.14060 0.42370 0.25000 0.05070 C2 0.18400 0.32930 0.25000 0.06260 C3 0.15510 0.22270 0.25000 0.05210 C4 0.08060 0.21400 0.25000 0.04280 C5 0.03950 0.30990 0.25000 0.03900 C6 0.20150 0.11880 0.25000 0.07550 N2 0.07480 0.66060 0.25000 0.06360 C7 0.09990 0.74900 0.25000 0.04920 O 0.12970 0.84080 0.25000 0.09200