# generated using pymatgen data_Yb2Zr3Si12Ir19 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.69072657 _cell_length_b 12.69072746 _cell_length_c 3.92695327 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.98740427 _symmetry_Int_Tables_number 1 _chemical_formula_structural Yb2Zr3Si12Ir19 _chemical_formula_sum 'Yb2 Zr3 Si12 Ir19' _cell_volume 547.79047702 _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 Yb Yb0 1 0.81390502 0.99932693 0.50000000 1.0 Yb Yb1 1 0.99932693 0.81390502 0.50000000 1.0 Zr Zr2 1 0.33240249 0.66626607 0.00000000 1.0 Zr Zr3 1 0.66626607 0.33240249 0.00000000 1.0 Zr Zr4 1 0.18358556 0.18358556 0.50000000 1.0 Si Si5 1 0.81943777 0.81943777 0.00000000 1.0 Si Si6 1 0.18079187 0.00016351 0.00000000 1.0 Si Si7 1 0.00016351 0.18079187 0.00000000 1.0 Si Si8 1 0.30953501 0.82985800 0.50000000 1.0 Si Si9 1 0.17096053 0.48213410 0.50000000 1.0 Si Si10 1 0.51836624 0.68948837 0.50000000 1.0 Si Si11 1 0.82985800 0.30953501 0.50000000 1.0 Si Si12 1 0.48213410 0.17096053 0.50000000 1.0 Si Si13 1 0.68948837 0.51836624 0.50000000 1.0 Si Si14 1 0.36595137 0.36595137 0.00000000 1.0 Si Si15 1 0.63309783 0.99997474 0.00000000 1.0 Si Si16 1 0.99997474 0.63309783 0.00000000 1.0 Ir Ir17 1 0.19616971 0.81707705 0.00000000 1.0 Ir Ir18 1 0.18377451 0.37520457 0.00000000 1.0 Ir Ir19 1 0.61881161 0.80360368 0.00000000 1.0 Ir Ir20 1 0.81707705 0.19616971 0.00000000 1.0 Ir Ir21 1 0.37520457 0.18377451 0.00000000 1.0 Ir Ir22 1 0.80360368 0.61881161 0.00000000 1.0 Ir Ir23 1 0.71658277 0.71658277 0.50000000 1.0 Ir Ir24 1 0.28362118 0.00284555 0.50000000 1.0 Ir Ir25 1 0.00284555 0.28362118 0.50000000 1.0 Ir Ir26 1 0.12768867 0.63728920 0.50000000 1.0 Ir Ir27 1 0.36240866 0.49075323 0.50000000 1.0 Ir Ir28 1 0.50742833 0.87251993 0.50000000 1.0 Ir Ir29 1 0.63728920 0.12768867 0.50000000 1.0 Ir Ir30 1 0.49075323 0.36240866 0.50000000 1.0 Ir Ir31 1 0.87251993 0.50742833 0.50000000 1.0 Ir Ir32 1 0.55118842 0.55118842 0.00000000 1.0 Ir Ir33 1 0.44925127 0.00445101 0.00000000 1.0 Ir Ir34 1 0.00445101 0.44925127 0.00000000 1.0 Ir Ir35 1 0.00408422 0.00408422 0.00000000 1.0