# generated using pymatgen data_Zr24Si3Se5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.97725415 _cell_length_b 11.01147951 _cell_length_c 5.46884959 _cell_angle_alpha 89.88356820 _cell_angle_beta 89.75134273 _cell_angle_gamma 90.03141049 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr24Si3Se5 _chemical_formula_sum 'Zr24 Si3 Se5' _cell_volume 661.04392659 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 '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 Zr0 1 0.91709756 0.60741897 0.54539496 1.0 Zr Zr1 1 0.08462767 0.39433862 0.53921655 1.0 Zr Zr2 1 0.89547759 0.41378295 0.03118384 1.0 Zr Zr3 1 0.10630696 0.58438719 0.03936524 1.0 Zr Zr4 1 0.58357431 0.89627286 0.96093904 1.0 Zr Zr5 1 0.41630338 0.10366901 0.96114888 1.0 Zr Zr6 1 0.60451411 0.08342896 0.46293651 1.0 Zr Zr7 1 0.39596450 0.91622748 0.46129206 1.0 Zr Zr8 1 0.86289030 0.97408538 0.71877157 1.0 Zr Zr9 1 0.13636564 0.02629671 0.71889168 1.0 Zr Zr10 1 0.52621921 0.36195429 0.21442770 1.0 Zr Zr11 1 0.47233773 0.63745846 0.21825516 1.0 Zr Zr12 1 0.63899573 0.52574473 0.78650437 1.0 Zr Zr13 1 0.36017808 0.47314166 0.78149385 1.0 Zr Zr14 1 0.97178696 0.14119341 0.28142255 1.0 Zr Zr15 1 0.02583917 0.85883007 0.28301515 1.0 Zr Zr16 1 0.81815412 0.71583866 0.01028980 1.0 Zr Zr17 1 0.18146047 0.28649446 0.01034149 1.0 Zr Zr18 1 0.78676678 0.31871325 0.51528876 1.0 Zr Zr19 1 0.21346572 0.68060924 0.51089881 1.0 Zr Zr20 1 0.68254025 0.78503801 0.48909081 1.0 Zr Zr21 1 0.31749095 0.21635124 0.48567131 1.0 Zr Zr22 1 0.71615126 0.18215086 0.98558410 1.0 Zr Zr23 1 0.28277881 0.81768974 0.98661748 1.0 Si Si24 1 0.29515818 0.45953811 0.28767835 1.0 Si Si25 1 0.96041323 0.20524109 0.78785109 1.0 Si Si26 1 0.04019043 0.79491977 0.79058620 1.0 Se Se27 1 0.79362551 0.96082261 0.21159151 1.0 Se Se28 1 0.20585762 0.03970818 0.21189240 1.0 Se Se29 1 0.53880447 0.29256659 0.71007813 1.0 Se Se30 1 0.46048780 0.70699586 0.71127145 1.0 Se Se31 1 0.70817551 0.53909158 0.29100819 1.0