# generated using pymatgen data_Dy6Fe5P12Ir13 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.89466714 _cell_length_b 11.04137523 _cell_length_c 12.53621299 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Dy6Fe5P12Ir13 _chemical_formula_sum 'Dy6 Fe5 P12 Ir13' _cell_volume 539.08826454 _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 0.00000000 0.50000000 0.51938572 1.0 Dy Dy1 1 0.50000000 0.00000000 0.47786467 1.0 Dy Dy2 1 0.50000000 0.81958903 0.19944326 1.0 Dy Dy3 1 0.50000000 0.18041097 0.19944326 1.0 Dy Dy4 1 0.00000000 0.67564627 0.79981394 1.0 Dy Dy5 1 0.00000000 0.32435373 0.79981394 1.0 Fe Fe6 1 0.50000000 0.50000000 0.15920226 1.0 Fe Fe7 1 0.00000000 0.50000000 0.98959627 1.0 Fe Fe8 1 0.50000000 0.00000000 0.99901484 1.0 Fe Fe9 1 0.50000000 0.33962402 0.99895965 1.0 Fe Fe10 1 0.50000000 0.66037598 0.99895965 1.0 P P11 1 0.50000000 0.50000000 0.89036678 1.0 P P12 1 0.00000000 0.00000000 0.11431876 1.0 P P13 1 0.50000000 0.50000000 0.34251488 1.0 P P14 1 0.00000000 0.00000000 0.64824197 1.0 P P15 1 0.50000000 0.31454427 0.62042823 1.0 P P16 1 0.50000000 0.68545573 0.62042823 1.0 P P17 1 0.00000000 0.18657112 0.37968179 1.0 P P18 1 0.00000000 0.81342888 0.37968179 1.0 P P19 1 0.50000000 0.83404489 0.90028430 1.0 P P20 1 0.50000000 0.16595511 0.90028430 1.0 P P21 1 0.00000000 0.65221341 0.10141732 1.0 P P22 1 0.00000000 0.34778659 0.10141732 1.0 Ir Ir23 1 0.00000000 0.00000000 0.83297092 1.0 Ir Ir24 1 0.50000000 0.50000000 0.70246797 1.0 Ir Ir25 1 0.00000000 0.00000000 0.29720344 1.0 Ir Ir26 1 0.00000000 0.16758465 0.00550800 1.0 Ir Ir27 1 0.00000000 0.83241535 0.00550800 1.0 Ir Ir28 1 0.50000000 0.29394210 0.43111450 1.0 Ir Ir29 1 0.50000000 0.70605790 0.43111450 1.0 Ir Ir30 1 0.00000000 0.20378644 0.57372367 1.0 Ir Ir31 1 0.00000000 0.79621356 0.57372367 1.0 Ir Ir32 1 0.50000000 0.87066850 0.71889858 1.0 Ir Ir33 1 0.50000000 0.12933150 0.71889858 1.0 Ir Ir34 1 0.00000000 0.62775532 0.28415303 1.0 Ir Ir35 1 0.00000000 0.37224468 0.28415303 1.0