# generated using pymatgen data_Pr16Dy3MgIr12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.21391776 _cell_length_b 11.21391776 _cell_length_c 6.47614480 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr16Dy3MgIr12 _chemical_formula_sum 'Pr16 Dy3 Mg1 Ir12' _cell_volume 814.38784762 _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 Pr Pr0 1 0.27938857 0.08494311 0.38447415 1.0 Pr Pr1 1 0.28884743 0.91140101 0.88592963 1.0 Pr Pr2 1 0.71115257 0.08859899 0.88592963 1.0 Pr Pr3 1 0.72061143 0.91505689 0.38447415 1.0 Pr Pr4 1 0.58954215 0.79043089 0.88518349 1.0 Pr Pr5 1 0.58615565 0.20957354 0.38315271 1.0 Pr Pr6 1 0.41384435 0.79042646 0.38315271 1.0 Pr Pr7 1 0.41045785 0.20956911 0.88518349 1.0 Pr Pr8 1 0.20957354 0.41384435 0.61684729 1.0 Pr Pr9 1 0.20956911 0.58954215 0.11481651 1.0 Pr Pr10 1 0.79043089 0.41045785 0.11481651 1.0 Pr Pr11 1 0.79042646 0.58615565 0.61684729 1.0 Pr Pr12 1 0.91140101 0.71115257 0.11407037 1.0 Pr Pr13 1 0.91505689 0.27938857 0.61552585 1.0 Pr Pr14 1 0.08494311 0.72061143 0.61552585 1.0 Pr Pr15 1 0.08859899 0.28884743 0.11407037 1.0 Dy Dy16 1 0.00000000 0.00000000 0.00000000 1.0 Dy Dy17 1 0.50000000 0.50000000 0.00000000 1.0 Dy Dy18 1 0.50000000 0.50000000 0.50000000 1.0 Mg Mg19 1 0.00000000 0.00000000 0.50000000 1.0 Ir Ir20 1 0.85334074 0.15145345 0.24410820 1.0 Ir Ir21 1 0.84854655 0.85334074 0.75589180 1.0 Ir Ir22 1 0.15145345 0.14665926 0.75589180 1.0 Ir Ir23 1 0.14665926 0.84854655 0.24410820 1.0 Ir Ir24 1 0.64868577 0.35225589 0.74722359 1.0 Ir Ir25 1 0.64774411 0.64868577 0.25277641 1.0 Ir Ir26 1 0.35225589 0.35131423 0.25277641 1.0 Ir Ir27 1 0.35131423 0.64774411 0.74722359 1.0 Ir Ir28 1 0.50000000 0.00000000 0.12173997 1.0 Ir Ir29 1 0.50000000 0.00000000 0.61440491 1.0 Ir Ir30 1 0.00000000 0.50000000 0.87826003 1.0 Ir Ir31 1 0.00000000 0.50000000 0.38559509 1.0