data_image0 _chemical_formula_structural NbSe2NbSe2NbSe2NbSe2NbSe2NbSe2Nb3 _chemical_formula_sum "Nb9 Se12" _cell_length_a 5.928117903824733 _cell_length_b 5.929914666738103 _cell_length_c 25.472926978767163 _cell_angle_alpha 90.0 _cell_angle_beta 90.0 _cell_angle_gamma 119.98443744673739 _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 0.6661487546887327 0.3331203571471345 0.3611135284008573 1.0000 Se Se1 1.0 0.33321831269404795 0.33335617944482265 0.43165975151443575 1.0000 Se Se2 1.0 0.6668297885623478 0.6666241369627922 0.2947103191658162 1.0000 Nb Nb2 1.0 0.6670130494080365 0.33337189476628015 0.6388703749500414 1.0000 Se Se3 1.0 0.33355177136580216 0.3335665093953463 0.7052648329332069 1.0000 Se Se4 1.0 0.6667835378801927 0.6666339636978601 0.56835171129206 1.0000 Nb Nb3 1.0 0.00021585642898189883 0.00031226381907398124 0.3611200906620431 1.0000 Se Se5 1.0 0.6665422913490354 0.9999774163349228 0.43163271418179733 1.0000 Se Se6 1.0 0.9998902046107361 0.33320328664435106 0.29472346881290146 1.0000 Nb Nb4 1.0 0.00016166786096550337 0.00014353546812738866 0.6389055943027584 1.0000 Se Se7 1.0 0.66666464313379 8.354899801937409e-05 0.7052758764226431 1.0000 Se Se8 1.0 6.994578944022147e-05 0.33321910288622886 0.5683379021212375 1.0000 Nb Nb5 1.0 0.33345888854972366 0.6663471720180315 0.3611089557029456 1.0000 Se Se9 1.0 0.9998906056427453 0.6666079406795212 0.4316298739114169 1.0000 Se Se10 1.0 0.3332631241964187 0.9996774272640441 0.294712713079953 1.0000 Nb Nb6 1.0 0.33329282728741016 0.6666383576202762 0.6388549028372242 1.0000 Se Se11 1.0 0.00015950953274214218 0.6667858606854649 0.7052877784706587 1.0000 Se Se12 1.0 0.333359133384905 0.9999979619236118 0.5683583426462088 1.0000 Nb Nb7 1.0 0.999966609347378 0.9999766499840909 0.49998465314237717 1.0000 Nb Nb8 1.0 0.3333197161844955 0.6666845764350707 0.5000050944524956 1.0000 Nb Nb9 1.0 0.6665456335123029 0.33320098798886744 0.4999940501779121 1.0000