data_image0 _chemical_formula_structural S8Mn2S2 _chemical_formula_sum "S10 Mn2" _cell_length_a 5.444290340866126 _cell_length_b 6.1518016597596175 _cell_length_c 34.0011444 _cell_angle_alpha 90.0 _cell_angle_beta 90.0 _cell_angle_gamma 90.0 _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 S S1 1.0 0.028264682881611207 2.147030116478193e-21 0.433726659212094 1.0000 S S2 1.0 0.5282646828020667 0.5000000000195376 0.5662733407879059 1.0000 S S3 1.0 0.325834159997754 0.2505840297296314 0.5292846187259509 1.0000 S S4 1.0 0.8258341599182095 0.2494159702899061 0.4707153812740491 1.0000 S S5 1.0 0.8258341599182095 0.750584029749169 0.4707153812740491 1.0000 S S6 1.0 0.325834159997754 0.7494159686839036 0.5292846187259509 1.0000 S S7 1.0 0.3905105490134034 2.966380033507062e-20 0.4405193814594076 1.0000 S S8 1.0 0.890510548933859 0.5000000000195376 0.5594806185405925 1.0000 Mn Mn1 1.0 0.10546889016735478 0.5000000000195376 0.49458109504102454 1.0000 Mn Mn2 1.0 0.6054688900878104 4.599237667212204e-20 0.5054189049589755 1.0000 S S9 1.0 0.3238816318748125 0.5000000000195376 0.44530156314385705 1.0000 S S10 1.0 0.823881631795268 6.258335475712889e-20 0.5546984368561431 1.0000