data_image0 _chemical_formula_structural TaS2TaS2TaS2TaS2TaS2TaS2Ta _chemical_formula_sum "Ta7 S12" _cell_length_a 5.8068688774844635 _cell_length_b 5.806641777448653 _cell_length_c 24.067095950211 _cell_angle_alpha 90.0 _cell_angle_beta 90.0 _cell_angle_gamma 60.00252712805949 _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 0.9929498340676907 0.007007399229414044 0.37607461034517653 1.0000 S S1 1.0 0.018812126041570072 0.3332957905489539 0.44080170369425603 1.0000 S S2 1.0 0.0013607259114815416 0.33329714419383133 0.31068897494342085 1.0000 Ta Ta2 1.0 0.6666597462591555 0.3333167064608971 0.6249983806736129 1.0000 S S3 1.0 0.0012246142712055601 0.9987524468571152 0.6893055762770023 1.0000 S S4 1.0 0.0002320237114284185 0.9997437733898055 0.5590875675927529 1.0000 Ta Ta3 1.0 0.3403728082303151 0.33329603792075313 0.3760747771631851 1.0000 S S5 1.0 0.3145084324477177 0.6854480674466192 0.4408017614625778 1.0000 S S6 1.0 0.3319611491747799 0.6679959682520814 0.3106888883924794 1.0000 Ta Ta4 1.0 0.999992441531836 0.6666502065983311 0.6248461577953058 1.0000 S S7 1.0 0.33209655979992786 0.3333166035109073 0.6893056903328479 1.0000 S S8 1.0 0.33308818052665057 0.33331554837346744 0.5590874221188992 1.0000 Ta Ta5 1.0 0.6666612058850265 0.6595850370860448 0.3760754822336315 1.0000 S S9 1.0 0.6666610310016169 0.9811525040835891 0.4408027534389324 1.0000 S S10 1.0 0.6666602419162468 0.9985930815882818 0.310689110739458 1.0000 Ta Ta6 1.0 0.3333270629937153 0.9999824474686089 0.6248461566475557 1.0000 S S11 1.0 0.6666603711404092 0.6678805268142575 0.6893055970396147 1.0000 S S12 1.0 0.6666603125943348 0.6668850602457169 0.5590865933721476 1.0000 Ta Ta7 1.0 0.6666592642176347 0.3333070451747531 0.49166002052623237 1.0000