# generated using pymatgen data_Y3Zr(P3Ir4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.00375516 _cell_length_b 11.15985173 _cell_length_c 12.84472386 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y3Zr(P3Ir4)2 _chemical_formula_sum 'Y6 Zr2 P12 Ir16' _cell_volume 573.91913912 _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 Y Y0 1 0.00000000 0.50000000 0.52404639 1.0 Y Y1 1 0.50000000 0.00000000 0.47595361 1.0 Y Y2 1 0.50000000 0.82168612 0.20409737 1.0 Y Y3 1 0.50000000 0.17831388 0.20409737 1.0 Y Y4 1 0.00000000 0.67831388 0.79590263 1.0 Y Y5 1 0.00000000 0.32168612 0.79590263 1.0 Zr Zr6 1 0.50000000 0.50000000 0.16027729 1.0 Zr Zr7 1 0.00000000 0.00000000 0.83972271 1.0 P P8 1 0.50000000 0.50000000 0.87675309 1.0 P P9 1 0.00000000 0.00000000 0.12324691 1.0 P P10 1 0.50000000 0.50000000 0.36141637 1.0 P P11 1 0.00000000 0.00000000 0.63858363 1.0 P P12 1 0.50000000 0.31393586 0.61732993 1.0 P P13 1 0.50000000 0.68606414 0.61732993 1.0 P P14 1 0.00000000 0.18606414 0.38267007 1.0 P P15 1 0.00000000 0.81393586 0.38267007 1.0 P P16 1 0.50000000 0.84147609 0.88664783 1.0 P P17 1 0.50000000 0.15852391 0.88664783 1.0 P P18 1 0.00000000 0.65852391 0.11335217 1.0 P P19 1 0.00000000 0.34147609 0.11335217 1.0 Ir Ir20 1 0.50000000 0.50000000 0.69902922 1.0 Ir Ir21 1 0.00000000 0.00000000 0.30097078 1.0 Ir Ir22 1 0.00000000 0.50000000 0.99370923 1.0 Ir Ir23 1 0.50000000 0.00000000 0.00629077 1.0 Ir Ir24 1 0.50000000 0.33108937 0.98154614 1.0 Ir Ir25 1 0.50000000 0.66891063 0.98154614 1.0 Ir Ir26 1 0.00000000 0.16891063 0.01845386 1.0 Ir Ir27 1 0.00000000 0.83108937 0.01845386 1.0 Ir Ir28 1 0.50000000 0.29817258 0.43402431 1.0 Ir Ir29 1 0.50000000 0.70182742 0.43402431 1.0 Ir Ir30 1 0.00000000 0.20182742 0.56597569 1.0 Ir Ir31 1 0.00000000 0.79817258 0.56597569 1.0 Ir Ir32 1 0.50000000 0.87022322 0.70857068 1.0 Ir Ir33 1 0.50000000 0.12977678 0.70857068 1.0 Ir Ir34 1 0.00000000 0.62977678 0.29142932 1.0 Ir Ir35 1 0.00000000 0.37022322 0.29142932 1.0