# generated using pymatgen data_Nd2Dy2P7Ir8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.94077317 _cell_length_b 12.69998310 _cell_length_c 13.11768893 _cell_angle_alpha 81.00362019 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd2Dy2P7Ir8 _chemical_formula_sum 'Nd4 Dy4 P14 Ir16' _cell_volume 648.43460160 _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 Nd Nd0 1 0.25000000 0.10642105 0.78855890 1.0 Nd Nd1 1 0.75000000 0.89357895 0.21144110 1.0 Nd Nd2 1 0.25000000 0.28036409 0.10096565 1.0 Nd Nd3 1 0.75000000 0.71963591 0.89903435 1.0 Dy Dy4 1 0.25000000 0.51915778 0.29368265 1.0 Dy Dy5 1 0.75000000 0.48084222 0.70631735 1.0 Dy Dy6 1 0.25000000 0.20944734 0.43931424 1.0 Dy Dy7 1 0.75000000 0.79055266 0.56068576 1.0 P P8 1 0.25000000 0.05254059 0.09998911 1.0 P P9 1 0.75000000 0.94745941 0.90001089 1.0 P P10 1 0.25000000 0.31682411 0.68705814 1.0 P P11 1 0.75000000 0.68317589 0.31294186 1.0 P P12 1 0.25000000 0.60926260 0.56417526 1.0 P P13 1 0.75000000 0.39073740 0.43582474 1.0 P P14 1 0.25000000 0.84249190 0.71637529 1.0 P P15 1 0.75000000 0.15750810 0.28362471 1.0 P P16 1 0.75000000 0.25763990 0.91640497 1.0 P P17 1 0.25000000 0.74236010 0.08359503 1.0 P P18 1 0.75000000 0.09155503 0.58914429 1.0 P P19 1 0.25000000 0.90844497 0.41085571 1.0 P P20 1 0.75000000 0.47038603 0.12952412 1.0 P P21 1 0.25000000 0.52961397 0.87047588 1.0 Ir Ir22 1 0.25000000 0.98986755 0.57582146 1.0 Ir Ir23 1 0.75000000 0.01013245 0.42417854 1.0 Ir Ir24 1 0.25000000 0.66126873 0.72620732 1.0 Ir Ir25 1 0.75000000 0.33873127 0.27379268 1.0 Ir Ir26 1 0.25000000 0.54771453 0.05190190 1.0 Ir Ir27 1 0.75000000 0.45228547 0.94809810 1.0 Ir Ir28 1 0.25000000 0.06353144 0.27355851 1.0 Ir Ir29 1 0.75000000 0.93646856 0.72644149 1.0 Ir Ir30 1 0.25000000 0.42279698 0.52355238 1.0 Ir Ir31 1 0.75000000 0.57720302 0.47644762 1.0 Ir Ir32 1 0.25000000 0.91528834 0.99843108 1.0 Ir Ir33 1 0.75000000 0.08471166 0.00156892 1.0 Ir Ir34 1 0.25000000 0.72926408 0.39694629 1.0 Ir Ir35 1 0.75000000 0.27073592 0.60305371 1.0 Ir Ir36 1 0.25000000 0.34346366 0.85696547 1.0 Ir Ir37 1 0.75000000 0.65653634 0.14303453 1.0