# generated using pymatgen data_Zr20(Ga3Se)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.23705683 _cell_length_b 8.39431605 _cell_length_c 10.69331213 _cell_angle_alpha 90.00000000 _cell_angle_beta 89.90716137 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr20(Ga3Se)3 _chemical_formula_sum 'Zr20 Ga9 Se3' _cell_volume 649.61938037 _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 0.83910934 0.75000000 0.21163050 1.0 Zr Zr1 1 0.65825622 0.75000000 0.70847264 1.0 Zr Zr2 1 0.15810795 0.25000000 0.78933655 1.0 Zr Zr3 1 0.33973177 0.25000000 0.29237244 1.0 Zr Zr4 1 0.33057906 0.75000000 0.27604387 1.0 Zr Zr5 1 0.16719700 0.75000000 0.77636674 1.0 Zr Zr6 1 0.66727356 0.25000000 0.72110559 1.0 Zr Zr7 1 0.82940076 0.25000000 0.22416724 1.0 Zr Zr8 1 0.68290187 0.94623445 0.43490907 1.0 Zr Zr9 1 0.81494120 0.55456483 0.93467779 1.0 Zr Zr10 1 0.31711514 0.44627512 0.56517116 1.0 Zr Zr11 1 0.19127529 0.05285070 0.06508197 1.0 Zr Zr12 1 0.31711514 0.05372488 0.56517116 1.0 Zr Zr13 1 0.19127529 0.44714930 0.06508197 1.0 Zr Zr14 1 0.68290187 0.55376555 0.43490907 1.0 Zr Zr15 1 0.81494120 0.94543517 0.93467779 1.0 Zr Zr16 1 0.01790567 0.75000000 0.49830205 1.0 Zr Zr17 1 0.47997462 0.75000000 0.99819921 1.0 Zr Zr18 1 0.98249384 0.25000000 0.50191058 1.0 Zr Zr19 1 0.52050781 0.25000000 0.00081239 1.0 Ga Ga20 1 0.56235239 0.50506613 0.17495503 1.0 Ga Ga21 1 0.93638370 0.99514870 0.67272065 1.0 Ga Ga22 1 0.43617521 0.00473069 0.82539230 1.0 Ga Ga23 1 0.06119300 0.49517199 0.32490497 1.0 Ga Ga24 1 0.43617521 0.49526931 0.82539230 1.0 Ga Ga25 1 0.06119300 0.00482801 0.32490497 1.0 Ga Ga26 1 0.56235239 0.99493387 0.17495503 1.0 Ga Ga27 1 0.93638370 0.50485130 0.67272065 1.0 Ga Ga28 1 0.09883825 0.75000000 0.03056495 1.0 Se Se29 1 0.39983771 0.75000000 0.52595140 1.0 Se Se30 1 0.90603737 0.25000000 0.97657622 1.0 Se Se31 1 0.60007549 0.25000000 0.47256076 1.0