data_image0 _chemical_formula_structural NbS2NbS2NbS2NbS2NbS2NbS2Nb2 _chemical_formula_sum "Nb8 S12" _cell_length_a 6.040439634833102 _cell_length_b 6.086903187134155 _cell_length_c 24.39789237397295 _cell_angle_alpha 90.0 _cell_angle_beta 90.0 _cell_angle_gamma 119.73768613135155 _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 0.623283853965666 0.33276912646460455 0.3811929086924462 1.0000 S S1 1.0 0.341002475041437 0.3334017595745853 0.4494703592388328 1.0000 S S2 1.0 0.6816558453206403 0.6764504639700011 0.3221083140928816 1.0000 Nb Nb2 1.0 0.2947885843183828 0.33378004239739756 0.6146874963674528 1.0000 S S3 1.0 0.6653779138176056 0.3333755392702833 0.6695744828937376 1.0000 S S4 1.0 0.6619336245091613 0.6232481551911934 0.5575283934980719 1.0000 Nb Nb3 1.0 0.05075632970925142 0.05556487440965591 0.3796850222965194 1.0000 S S5 1.0 0.6648185575264887 0.9931817221548707 0.44279521134065875 1.0000 S S6 1.0 0.9873595328018105 0.3330655969498395 0.3189377803920887 1.0000 Nb Nb4 1.0 0.6679443743542632 0.9707813353561429 0.6140477312696835 1.0000 S S7 1.0 0.00010532857700948894 0.9991054765241768 0.6778022460514332 1.0000 S S8 1.0 0.9580485908079593 0.33327746519019735 0.5542218599351131 1.0000 Nb Nb5 1.0 0.3284579597705254 0.6108370053051226 0.37960794842590895 1.0000 S S9 1.0 0.00524815819533765 0.6733579128104067 0.4427703305029744 1.0000 S S10 1.0 0.3379545956952966 0.9895942598876631 0.3220569883479851 1.0000 Nb Nb6 1.0 0.030792885850829316 0.6957019443220529 0.6140531432125667 1.0000 S S11 1.0 0.3344472859913787 0.6678205663198336 0.677909800013873 1.0000 S S12 1.0 0.371958432764211 0.04363668149676421 0.5575914427966107 1.0000 Nb Nb7 1.0 0.9927801668989409 0.9913217822898842 0.5129440866519446 1.0000 Nb Nb8 1.0 0.3346618159050965 0.675440274601577 0.5130122449983506 1.0000