# generated using pymatgen data_Dy3Zr(Al3Ir)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.49104043 _cell_length_b 7.48122260 _cell_length_c 9.36429827 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.63872678 _symmetry_Int_Tables_number 1 _chemical_formula_structural Dy3Zr(Al3Ir)6 _chemical_formula_sum 'Dy3 Zr1 Al18 Ir6' _cell_volume 456.13156041 _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 0.00492709 0.32856426 0.25000000 1.0 Dy Dy1 1 0.67070358 0.99508953 0.75000000 1.0 Dy Dy2 1 0.32952675 0.00536044 0.25000000 1.0 Zr Zr3 1 0.99568289 0.67126800 0.75000000 1.0 Al Al4 1 0.12775004 0.12478202 0.75000000 1.0 Al Al5 1 0.87052818 0.86943880 0.25000000 1.0 Al Al6 1 0.00080364 0.33739676 0.57657921 1.0 Al Al7 1 0.99894664 0.66537863 0.42930897 1.0 Al Al8 1 0.99894664 0.66537863 0.07069103 1.0 Al Al9 1 0.33232928 0.99885045 0.92323351 1.0 Al Al10 1 0.00080364 0.33739676 0.92342079 1.0 Al Al11 1 0.66496367 0.99793386 0.07367289 1.0 Al Al12 1 0.66496367 0.99793386 0.42632711 1.0 Al Al13 1 0.33232928 0.99885045 0.57676649 1.0 Al Al14 1 0.33411571 0.33415061 0.04841830 1.0 Al Al15 1 0.66859704 0.66658108 0.94442013 1.0 Al Al16 1 0.66859704 0.66658108 0.55557987 1.0 Al Al17 1 0.33411571 0.33415061 0.45158170 1.0 Al Al18 1 0.33483678 0.54824588 0.75000000 1.0 Al Al19 1 0.66100435 0.45267834 0.25000000 1.0 Al Al20 1 0.55344343 0.34402663 0.75000000 1.0 Al Al21 1 0.45231029 0.66002020 0.25000000 1.0 Ir Ir22 1 0.67260861 0.32811243 0.50124999 1.0 Ir Ir23 1 0.32797151 0.67251619 0.50155825 1.0 Ir Ir24 1 0.32797151 0.67251619 0.99844175 1.0 Ir Ir25 1 0.67260861 0.32811243 0.99875001 1.0 Ir Ir26 1 0.99930721 0.99934146 0.50135534 1.0 Ir Ir27 1 0.99930721 0.99934146 0.99864466 1.0