data_image0 _chemical_formula_structural NbCl2NbCl2O2 _chemical_formula_sum "Nb2 Cl4 O2" _cell_length_a 3.941542141410553 _cell_length_b 6.739463240013326 _cell_length_c 34.04541584744468 _cell_angle_alpha 90.0 _cell_angle_beta 90.0 _cell_angle_gamma 89.99994275815617 _space_group_name_H-M_alt "P 1" _space_group_IT_number 1 loop_ _space_group_symop_operation_xyz '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 Nb Nb1 1.0 0.5449440925113842 0.5549175536040666 0.5000152480521897 1.0000 Cl Cl1 1.0 0.4842651744044215 0.2746012945457281 0.4508696480249372 1.0000 Cl Cl2 1.0 0.4937325691506057 0.7744473522886238 0.4429219709804722 1.0000 Nb Nb2 1.0 0.5449424470418706 0.9942040271063232 0.4999847534914931 1.0000 Cl Cl3 1.0 0.4842651947716765 0.2745206085948336 0.5491303555748227 1.0000 Cl Cl4 1.0 0.4937325765625936 0.7746749638869598 0.5570780305632105 1.0000 O O1 1.0 0.994737757507175 0.5479298022102208 0.5000351088758327 1.0000 O O2 1.0 0.9947356127696435 0.0011932597331260014 0.49996488943687173 1.0000