data_image0 _chemical_formula_structural ZrSe2ZrSe2ZrSe2ZrSe2ZrSe2ZrSe2Zr _chemical_formula_sum "Zr7 Se12" _cell_length_a 6.525280396506988 _cell_length_b 6.5237755657423415 _cell_length_c 24.532831112654016 _cell_angle_alpha 90.0 _cell_angle_beta 90.0 _cell_angle_gamma 59.998060754924346 _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 Zr Zr1 1.0 0.9997071070641363 0.00024131344900377906 0.36997431435128325 1.0000 Se Se1 1.0 0.007210400090370793 0.33329143685445656 0.4381534503963384 1.0000 Se Se2 1.0 0.6666577687475441 0.333312569008327 0.30570208817569533 1.0000 Zr Zr2 1.0 0.9997248950253794 0.3333208871121087 0.6300224527297905 1.0000 Se Se3 1.0 0.6666665941749204 0.33332737750602853 0.6942971486570235 1.0000 Se Se4 1.0 0.007177903699113616 0.9927961785108799 0.5618495112408917 1.0000 Zr Zr3 1.0 0.3336005932072635 0.3333018655867932 0.36997301486815987 1.0000 Se Se5 1.0 0.3261064566886008 0.6738393456646291 0.4381554921500916 1.0000 Se Se6 1.0 0.999974285372236 0.6666330806731982 0.30536569202304165 1.0000 Zr Zr4 1.0 0.33360265063000427 0.6663861864205357 0.6300267583885837 1.0000 Se Se7 1.0 7.141510829475053e-06 0.6666421555595504 0.6946411656178564 1.0000 Se Se8 1.0 0.3261643884437946 0.33330892464395984 0.561850973363214 1.0000 Zr Zr5 1.0 0.6666487828872352 0.6663517581079542 0.36998408044794373 1.0000 Se Se9 1.0 0.6666527681812544 0.9927829380791008 0.4381549524651307 1.0000 Se Se10 1.0 0.3333330575701123 0.9999551849664449 0.30536617708731917 1.0000 Zr Zr6 1.0 0.6666674205836728 0.0002464201542749496 0.6300317961275805 1.0000 Se Se11 1.0 0.3333163554516938 0.9999944293654928 0.6946412801582446 1.0000 Se Se12 1.0 0.6666651841915753 0.6738454713862135 0.561847730362044 1.0000 Zr Zr7 1.0 0.666670817015413 0.333324169940401 0.499991163012291 1.0000