data_image0 _chemical_formula_structural NbS2NbS2NbS2NbS2NbS2NbS2Nb _chemical_formula_sum "Nb7 S12" _cell_length_a 5.947103917080061 _cell_length_b 5.946937533836061 _cell_length_c 23.948647243614985 _cell_angle_alpha 90.0 _cell_angle_beta 90.0 _cell_angle_gamma 120.02763411725374 _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 0.6401032458314244 0.35100875280806565 0.3774420671050626 1.0000 S S1 1.0 0.34011953146462137 0.34036684864487154 0.4470743955216333 1.0000 S S2 1.0 0.6837405264089939 0.6839791131946639 0.3128660652011422 1.0000 Nb Nb2 1.0 0.3428969769398245 0.34240536871473176 0.6212295161667872 1.0000 S S3 1.0 0.6594638256788623 0.3253870891146619 0.687084387381715 1.0000 S S4 1.0 0.6412639901404141 0.6407929551920143 0.5575118191095207 1.0000 Nb Nb3 1.0 0.03516903206591541 0.0361582898094896 0.3776446392984166 1.0000 S S5 1.0 0.6727151212283613 0.0034459383455753678 0.4409483401120062 1.0000 S S6 1.0 0.9994285510884073 0.3447339682529541 0.31632561008303894 1.0000 Nb Nb4 1.0 0.6448918171187139 0.9911158696368337 0.6213357693498633 1.0000 S S7 1.0 0.9937715666280674 0.9934423886491155 0.67967704582311 1.0000 S S8 1.0 0.9920704228027821 0.3443318846614637 0.5582701646567767 1.0000 Nb Nb5 1.0 0.35135440927909456 0.6407016090506427 0.3774475751405962 1.0000 S S9 1.0 0.0033095829263081887 0.6731443973736276 0.4408565771001899 1.0000 S S10 1.0 0.34390741452679147 0.9997002619879509 0.31634813369343384 1.0000 Nb Nb6 1.0 0.9916336590428211 0.6446866523943205 0.6213989148789036 1.0000 S S11 1.0 0.32598435466677916 0.659030633896456 0.6870862751710143 1.0000 S S12 1.0 0.3445381850745194 0.9916252476888268 0.5582203639315889 1.0000 Nb Nb7 1.0 0.9942702874238435 0.9940680284372776 0.511670871233323 1.0000