data_image0 _chemical_formula_structural Cl16Nb6 _chemical_formula_sum "Cl16 Nb6" _cell_length_a 6.782589116507796 _cell_length_b 6.781431665682402 _cell_length_c 12.49077420694194 _cell_angle_alpha 89.9999992164433 _cell_angle_beta 89.9819710238502 _cell_angle_gamma 119.99435830700745 _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 Cl Cl1 1.0 0.6665655152 0.3332823991 0.09955909119999999 1.0000 Cl Cl2 1.0 0.1642831623 0.3286257487 0.1378437428 1.0000 Cl Cl3 1.0 0.16428303020000004 0.8356570376000001 0.1378437428 1.0000 Cl Cl4 1.0 0.6713449617000001 0.8356725788999999 0.1378525476 1.0000 Cl Cl5 1.0 0.33334830690000006 0.6666740090000001 0.3543267202 1.0000 Cl Cl6 1.0 0.33681682690000003 0.16840846239999996 0.37844742769999995 1.0000 Cl Cl7 1.0 0.8316460988 0.6632548589999999 0.3784564749 1.0000 Cl Cl8 1.0 0.8316458555 0.16839134029999997 0.3784564749 1.0000 Cl Cl9 1.0 0.1683555796 0.8316091705 0.6215428044000001 1.0000 Cl Cl10 1.0 0.16835533619999998 0.33674565179999993 0.6215428044 1.0000 Cl Cl11 1.0 0.6631831336 0.8315920484000001 0.6215526524 1.0000 Cl Cl12 1.0 0.6666516535 0.3333265018 0.6456733598999999 1.0000 Cl Cl13 1.0 0.3286549988 0.1643279319 0.8621475324 1.0000 Cl Cl14 1.0 0.8357169303 0.1643434733 0.8621563373 1.0000 Cl Cl15 1.0 0.8357159469 0.6713730595 0.8621563374 1.0000 Cl Cl16 1.0 0.3334344452 0.6667181117 0.9004409888999999 1.0000 Nb Nb1 1.0 0.5280290644 0.4719356170999999 0.24658421080000004 1.0000 Nb Nb2 1.0 0.528028339 0.05609279219999999 0.2465842109 1.0000 Nb Nb3 1.0 0.9438757099999999 0.47193768459999996 0.2466480278 1.0000 Nb Nb4 1.0 0.05612339929999999 0.5280611236 0.7533520524 1.0000 Nb Nb5 1.0 0.4719723704 0.5280648935 0.7534158691 1.0000 Nb Nb6 1.0 0.4719716215 0.9439077186 0.7534158692 1.0000