# generated using pymatgen data_DyZr3(Al3Ir)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.45244946 _cell_length_b 7.44600943 _cell_length_c 9.24478781 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.72055194 _symmetry_Int_Tables_number 1 _chemical_formula_structural DyZr3(Al3Ir)6 _chemical_formula_sum 'Dy1 Zr3 Al18 Ir6' _cell_volume 445.51902842 _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 Dy Dy0 1 0.32897370 0.00663736 0.25000000 1.0 Zr Zr1 1 0.99369943 0.67213331 0.75000000 1.0 Zr Zr2 1 0.00705220 0.32945793 0.25000000 1.0 Zr Zr3 1 0.67150596 0.99356903 0.75000000 1.0 Al Al4 1 0.12339346 0.12485413 0.75000000 1.0 Al Al5 1 0.87134894 0.87481594 0.25000000 1.0 Al Al6 1 0.99837209 0.33466833 0.57605853 1.0 Al Al7 1 0.99934414 0.66311856 0.42653894 1.0 Al Al8 1 0.99934414 0.66311856 0.07346106 1.0 Al Al9 1 0.33495322 0.99897078 0.92113349 1.0 Al Al10 1 0.99837209 0.33466833 0.92394147 1.0 Al Al11 1 0.66733625 0.00111025 0.07369677 1.0 Al Al12 1 0.66733625 0.00111025 0.42630323 1.0 Al Al13 1 0.33495322 0.99897078 0.57886651 1.0 Al Al14 1 0.33219338 0.33400898 0.05339382 1.0 Al Al15 1 0.66758872 0.66754593 0.94237793 1.0 Al Al16 1 0.66758872 0.66754593 0.55762207 1.0 Al Al17 1 0.33219338 0.33400898 0.44660618 1.0 Al Al18 1 0.33820910 0.55226980 0.75000000 1.0 Al Al19 1 0.66611094 0.45234919 0.25000000 1.0 Al Al20 1 0.55349802 0.33944845 0.75000000 1.0 Al Al21 1 0.44730529 0.65629050 0.25000000 1.0 Ir Ir22 1 0.67286011 0.32781602 0.50112820 1.0 Ir Ir23 1 0.32785431 0.67297403 0.50151055 1.0 Ir Ir24 1 0.32785431 0.67297403 0.99848945 1.0 Ir Ir25 1 0.67286011 0.32781602 0.99887180 1.0 Ir Ir26 1 0.99894778 0.99887380 0.50136660 1.0 Ir Ir27 1 0.99894778 0.99887380 0.99863340 1.0