data_image0 _chemical_formula_structural TaS2TaS2TaS2TaS2TaS2TaS2Ta2 _chemical_formula_sum "Ta8 S12" _cell_length_a 5.740988600584385 _cell_length_b 5.74114105539714 _cell_length_c 24.753792044123017 _cell_angle_alpha 90.0 _cell_angle_beta 90.0 _cell_angle_gamma 120.03335242431334 _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 Ta Ta1 1.0 0.6678587837517251 0.3036847693490443 0.3680974603806453 1.0000 S S1 1.0 0.3326979260584722 0.33896375391750777 0.43528636014178457 1.0000 S S2 1.0 0.6669086015533741 0.654822459460851 0.3056329509784496 1.0000 Ta Ta2 1.0 0.6964553007256414 0.33220792320201203 0.6319380404571477 1.0000 S S3 1.0 0.3452805406058115 0.33302989283919093 0.6943892427014626 1.0000 S S4 1.0 0.6609241808012002 0.6672236665135504 0.5647293135922923 1.0000 Ta Ta3 1.0 0.9703381932206058 0.001022496975350486 0.36809593278307046 1.0000 S S5 1.0 0.6495939412277296 0.9828912091418954 0.4379659235350812 1.0000 S S6 1.0 0.004379669653325676 0.33764731651937335 0.3040805567891275 1.0000 Ta Ta4 1.0 0.9989037237645407 0.0297048284317695 0.6319365304871003 1.0000 S S7 1.0 0.6622811165100423 0.9955750672607468 0.6959497388487823 1.0000 S S8 1.0 0.01703850334706753 0.3503176018786848 0.5620488597350584 1.0000 Ta Ta5 1.0 0.35354996769521385 0.6869805737460198 0.3672138160642011 1.0000 S S9 1.0 0.005679246635484989 0.6660112866432311 0.4352900785922346 1.0000 S S10 1.0 0.32157976747482026 0.0003236821845399446 0.30561933729063334 1.0000 Ta Ta6 1.0 0.31292991734337466 0.6462479491645033 0.6328128591198099 1.0000 S S11 1.0 0.9997376440049788 0.6785744425178496 0.6943993261369369 1.0000 S S12 1.0 0.3339491851777874 0.9942191117565502 0.5647308925986854 1.0000 Ta Ta7 1.0 0.6664441121370378 0.33343955273105064 0.5000085326396871 1.0000 Ta Ta8 1.0 0.00016917737036035839 0.999761316756495 0.5000100774838444 1.0000