data_image0 _chemical_formula_structural Se12Zr24 _chemical_formula_sum "Se12 Zr24" _cell_length_a 12.707276 _cell_length_b 15.875564 _cell_length_c 3.631401 _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 Se Se1 1.0 0.4204701307 0.2065299853 0.0 1.0000 Se Se2 1.0 0.6828772744 0.3481054279 0.0 1.0000 Se Se3 1.0 0.24564588039999996 0.41979862889999997 0.0 1.0000 Se Se4 1.0 0.7543544344 0.5802011192 0.0 1.0000 Se Se5 1.0 0.31712225339999994 0.6518949499999999 0.0 1.0000 Se Se6 1.0 0.5795301841 0.7934697627 0.0 1.0000 Se Se7 1.0 0.7456460377999999 0.0802012451 0.49999986229999993 1.0000 Se Se8 1.0 0.18287711699999998 0.151895076 0.49999986229999993 1.0000 Se Se9 1.0 0.9204702879999999 0.2934698887 0.49999986229999993 1.0000 Se Se10 1.0 0.07953002669999999 0.7065304892 0.49999986229999993 1.0000 Se Se11 1.0 0.8171224108 0.848105302 0.49999986229999993 1.0000 Se Se12 1.0 0.254354277 0.9197991328 0.49999986229999993 1.0000 Zr Zr1 1.0 0.1494828632 0.023845452 0.0 1.0000 Zr Zr2 1.0 0.5832320003 0.0804563542 0.0 1.0000 Zr Zr3 1.0 0.8005405721999999 0.2033288392 0.0 1.0000 Zr Zr4 1.0 0.0770542798 0.2531254953 0.0 1.0000 Zr Zr5 1.0 0.46759824839999997 0.3900548037 0.0 1.0000 Zr Zr6 1.0 0.8770707428 0.4241877643 0.0 1.0000 Zr Zr7 1.0 0.12292878509999998 0.5758119838 0.0 1.0000 Zr Zr8 1.0 0.5324012794 0.6099449443 0.0 1.0000 Zr Zr9 1.0 0.9229460349999999 0.7468748827 0.0 1.0000 Zr Zr10 1.0 0.1994597426 0.7966715387 0.0 1.0000 Zr Zr11 1.0 0.4167683145 0.9195440237999999 0.0 1.0000 Zr Zr12 1.0 0.8505174515999999 0.9761549259 0.0 1.0000 Zr Zr13 1.0 0.3770713723 0.0758121097 0.49999986229999993 1.0000 Zr Zr14 1.0 0.9675984058 0.1099450703 0.49999986229999993 1.0000 Zr Zr15 1.0 0.5770536502 0.2468750087 0.49999986229999993 1.0000 Zr Zr16 1.0 0.3005404148 0.2966716647 0.49999986229999993 1.0000 Zr Zr17 1.0 0.0832318429 0.4195435198 0.49999986229999993 1.0000 Zr Zr18 1.0 0.6494830206 0.476154422 0.49999986229999993 1.0000 Zr Zr19 1.0 0.3505172942 0.5238453261 0.49999986229999993 1.0000 Zr Zr20 1.0 0.9167684719 0.5804562282 0.49999986229999993 1.0000 Zr Zr21 1.0 0.699459113 0.7033287132 0.49999986229999993 1.0000 Zr Zr22 1.0 0.42294587759999996 0.7531253693 0.49999986229999993 1.0000 Zr Zr23 1.0 0.032401122 0.8900546776999999 0.49999986229999993 1.0000 Zr Zr24 1.0 0.6229289424 0.9241876383 0.49999986229999993 1.0000