# generated using pymatgen data_Dy3Sc(P3Ir4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.98489109 _cell_length_b 11.17029158 _cell_length_c 12.81318788 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Dy3Sc(P3Ir4)2 _chemical_formula_sum 'Dy6 Sc2 P12 Ir16' _cell_volume 570.34568514 _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 0.52260872 1.0 Dy Dy1 1 0.50000000 0.00000000 0.47739128 1.0 Dy Dy2 1 0.50000000 0.82145681 0.20479412 1.0 Dy Dy3 1 0.50000000 0.17854319 0.20479412 1.0 Dy Dy4 1 0.00000000 0.67854319 0.79520588 1.0 Dy Dy5 1 0.00000000 0.32145681 0.79520588 1.0 Sc Sc6 1 0.50000000 0.50000000 0.15820833 1.0 Sc Sc7 1 0.00000000 0.00000000 0.84179167 1.0 P P8 1 0.50000000 0.50000000 0.87786955 1.0 P P9 1 0.00000000 0.00000000 0.12213045 1.0 P P10 1 0.50000000 0.50000000 0.35945569 1.0 P P11 1 0.00000000 0.00000000 0.64054431 1.0 P P12 1 0.50000000 0.31315201 0.61752472 1.0 P P13 1 0.50000000 0.68684799 0.61752472 1.0 P P14 1 0.00000000 0.18684799 0.38247528 1.0 P P15 1 0.00000000 0.81315201 0.38247528 1.0 P P16 1 0.50000000 0.84279695 0.88695780 1.0 P P17 1 0.50000000 0.15720305 0.88695780 1.0 P P18 1 0.00000000 0.65720305 0.11304220 1.0 P P19 1 0.00000000 0.34279695 0.11304220 1.0 Ir Ir20 1 0.50000000 0.50000000 0.69931440 1.0 Ir Ir21 1 0.00000000 0.00000000 0.30068560 1.0 Ir Ir22 1 0.00000000 0.50000000 0.99281071 1.0 Ir Ir23 1 0.50000000 0.00000000 0.00718929 1.0 Ir Ir24 1 0.50000000 0.33058013 0.98127057 1.0 Ir Ir25 1 0.50000000 0.66941987 0.98127057 1.0 Ir Ir26 1 0.00000000 0.16941987 0.01872943 1.0 Ir Ir27 1 0.00000000 0.83058013 0.01872943 1.0 Ir Ir28 1 0.50000000 0.29737175 0.43348751 1.0 Ir Ir29 1 0.50000000 0.70262825 0.43348751 1.0 Ir Ir30 1 0.00000000 0.20262825 0.56651249 1.0 Ir Ir31 1 0.00000000 0.79737175 0.56651249 1.0 Ir Ir32 1 0.50000000 0.87181310 0.70856927 1.0 Ir Ir33 1 0.50000000 0.12818690 0.70856927 1.0 Ir Ir34 1 0.00000000 0.62818690 0.29143073 1.0 Ir Ir35 1 0.00000000 0.37181310 0.29143073 1.0