# generated using pymatgen data_Dy3Ti(P3Ir4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.96355383 _cell_length_b 11.11655200 _cell_length_c 12.76111330 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Dy3Ti(P3Ir4)2 _chemical_formula_sum 'Dy6 Ti2 P12 Ir16' _cell_volume 562.26807964 _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 0.52044627 1.0 Dy Dy1 1 0.50000000 0.00000000 0.47955373 1.0 Dy Dy2 1 0.50000000 0.81969333 0.20353652 1.0 Dy Dy3 1 0.50000000 0.18030667 0.20353652 1.0 Dy Dy4 1 0.00000000 0.68030667 0.79646348 1.0 Dy Dy5 1 0.00000000 0.31969333 0.79646348 1.0 Ti Ti6 1 0.50000000 0.50000000 0.15731572 1.0 Ti Ti7 1 0.00000000 0.00000000 0.84268428 1.0 P P8 1 0.50000000 0.50000000 0.87620792 1.0 P P9 1 0.00000000 0.00000000 0.12379208 1.0 P P10 1 0.50000000 0.50000000 0.35139290 1.0 P P11 1 0.00000000 0.00000000 0.64860710 1.0 P P12 1 0.50000000 0.31364052 0.61735734 1.0 P P13 1 0.50000000 0.68635948 0.61735734 1.0 P P14 1 0.00000000 0.18635948 0.38264266 1.0 P P15 1 0.00000000 0.81364052 0.38264266 1.0 P P16 1 0.50000000 0.84446503 0.88680574 1.0 P P17 1 0.50000000 0.15553497 0.88680574 1.0 P P18 1 0.00000000 0.65553497 0.11319426 1.0 P P19 1 0.00000000 0.34446503 0.11319426 1.0 Ir Ir20 1 0.50000000 0.50000000 0.69764804 1.0 Ir Ir21 1 0.00000000 0.00000000 0.30235196 1.0 Ir Ir22 1 0.00000000 0.50000000 0.99428599 1.0 Ir Ir23 1 0.50000000 0.00000000 0.00571401 1.0 Ir Ir24 1 0.50000000 0.33113283 0.98173108 1.0 Ir Ir25 1 0.50000000 0.66886717 0.98173108 1.0 Ir Ir26 1 0.00000000 0.16886717 0.01826892 1.0 Ir Ir27 1 0.00000000 0.83113283 0.01826892 1.0 Ir Ir28 1 0.50000000 0.29645126 0.43211622 1.0 Ir Ir29 1 0.50000000 0.70354874 0.43211622 1.0 Ir Ir30 1 0.00000000 0.20354874 0.56788378 1.0 Ir Ir31 1 0.00000000 0.79645126 0.56788378 1.0 Ir Ir32 1 0.50000000 0.87266010 0.70987619 1.0 Ir Ir33 1 0.50000000 0.12733990 0.70987619 1.0 Ir Ir34 1 0.00000000 0.62733990 0.29012381 1.0 Ir Ir35 1 0.00000000 0.37266010 0.29012381 1.0