# generated using pymatgen data_Y5Zr3(P3Ir4)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.83395594 _cell_length_b 12.83395462 _cell_length_c 3.96192765 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000086 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y5Zr3(P3Ir4)4 _chemical_formula_sum 'Y5 Zr3 P12 Ir16' _cell_volume 565.14281742 _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 Y Y0 1 0.33333300 0.66666700 0.00000000 1.0 Y Y1 1 0.66666700 0.33333300 0.00000000 1.0 Y Y2 1 0.81623345 1.00000000 0.50000000 1.0 Y Y3 1 0.00000000 0.81623345 0.50000000 1.0 Y Y4 1 0.18376655 0.18376655 0.50000000 1.0 Zr Zr5 1 0.44880274 0.00000000 0.00000000 1.0 Zr Zr6 1 1.00000000 0.44880274 0.00000000 1.0 Zr Zr7 1 0.55119726 0.55119726 0.00000000 1.0 P P8 1 0.17551389 0.00000000 0.00000000 1.0 P P9 1 1.00000000 0.17551389 0.00000000 1.0 P P10 1 0.82448611 0.82448611 0.00000000 1.0 P P11 1 0.17030872 0.48211855 0.50000000 1.0 P P12 1 0.51788145 0.68818916 0.50000000 1.0 P P13 1 0.31181084 0.82969128 0.50000000 1.0 P P14 1 0.68818916 0.51788145 0.50000000 1.0 P P15 1 0.82969128 0.31181084 0.50000000 1.0 P P16 1 0.48211855 0.17030872 0.50000000 1.0 P P17 1 0.65066666 1.00000000 0.00000000 1.0 P P18 1 0.00000000 0.65066666 0.00000000 1.0 P P19 1 0.34933334 0.34933334 0.00000000 1.0 Ir Ir20 1 0.35840676 0.49450629 0.50000000 1.0 Ir Ir21 1 0.50549371 0.86390048 0.50000000 1.0 Ir Ir22 1 0.13609952 0.64159324 0.50000000 1.0 Ir Ir23 1 0.86390048 0.50549371 0.50000000 1.0 Ir Ir24 1 0.64159324 0.13609952 0.50000000 1.0 Ir Ir25 1 0.49450629 0.35840676 0.50000000 1.0 Ir Ir26 1 0.17806265 0.37087047 0.00000000 1.0 Ir Ir27 1 0.62912953 0.80719218 0.00000000 1.0 Ir Ir28 1 0.19280782 0.82193735 0.00000000 1.0 Ir Ir29 1 0.80719218 0.62912953 0.00000000 1.0 Ir Ir30 1 0.82193735 0.19280782 0.00000000 1.0 Ir Ir31 1 0.37087047 0.17806265 0.00000000 1.0 Ir Ir32 1 0.27949052 1.00000000 0.50000000 1.0 Ir Ir33 1 0.00000000 0.27949052 0.50000000 1.0 Ir Ir34 1 0.72050948 0.72050948 0.50000000 1.0 Ir Ir35 1 0.00000000 0.00000000 0.00000000 1.0