# generated using pymatgen data_Dy3P6Ir8Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.96973310 _cell_length_b 11.12173369 _cell_length_c 12.64824755 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Dy3P6Ir8Ru _chemical_formula_sum 'Dy6 P12 Ir16 Ru2' _cell_volume 558.42410482 _cell_formula_units_Z 2 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 0.00000000 0.50000000 0.52313391 1.0 Dy Dy1 1 0.50000000 0.00000000 0.47686609 1.0 Dy Dy2 1 0.50000000 0.82002123 0.20725553 1.0 Dy Dy3 1 0.50000000 0.17997877 0.20725553 1.0 Dy Dy4 1 0.00000000 0.67997877 0.79274447 1.0 Dy Dy5 1 0.00000000 0.32002123 0.79274447 1.0 P P6 1 0.50000000 0.50000000 0.87934554 1.0 P P7 1 0.00000000 0.00000000 0.12065446 1.0 P P8 1 0.50000000 0.50000000 0.35344279 1.0 P P9 1 0.00000000 0.00000000 0.64655721 1.0 P P10 1 0.50000000 0.31620372 0.61860442 1.0 P P11 1 0.50000000 0.68379628 0.61860442 1.0 P P12 1 0.00000000 0.18379628 0.38139558 1.0 P P13 1 0.00000000 0.81620372 0.38139558 1.0 P P14 1 0.50000000 0.84186350 0.88762445 1.0 P P15 1 0.50000000 0.15813650 0.88762445 1.0 P P16 1 0.00000000 0.65813650 0.11237555 1.0 P P17 1 0.00000000 0.34186350 0.11237555 1.0 Ir Ir18 1 0.50000000 0.50000000 0.70182690 1.0 Ir Ir19 1 0.00000000 0.00000000 0.29817310 1.0 Ir Ir20 1 0.00000000 0.50000000 0.99791873 1.0 Ir Ir21 1 0.50000000 0.00000000 0.00208127 1.0 Ir Ir22 1 0.50000000 0.33230083 0.98500159 1.0 Ir Ir23 1 0.50000000 0.66769917 0.98500159 1.0 Ir Ir24 1 0.00000000 0.16769917 0.01499841 1.0 Ir Ir25 1 0.00000000 0.83230083 0.01499841 1.0 Ir Ir26 1 0.50000000 0.30019921 0.43190655 1.0 Ir Ir27 1 0.50000000 0.69980079 0.43190655 1.0 Ir Ir28 1 0.00000000 0.19980079 0.56809345 1.0 Ir Ir29 1 0.00000000 0.80019921 0.56809345 1.0 Ir Ir30 1 0.50000000 0.87171394 0.71101446 1.0 Ir Ir31 1 0.50000000 0.12828606 0.71101446 1.0 Ir Ir32 1 0.00000000 0.62828606 0.28898554 1.0 Ir Ir33 1 0.00000000 0.37171394 0.28898554 1.0 Ru Ru34 1 0.50000000 0.50000000 0.17051187 1.0 Ru Ru35 1 0.00000000 0.00000000 0.82948813 1.0