# generated using pymatgen data_Nd5Zr3(P3Ir4)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.88669983 _cell_length_b 12.88670034 _cell_length_c 4.01969053 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000122 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd5Zr3(P3Ir4)4 _chemical_formula_sum 'Nd5 Zr3 P12 Ir16' _cell_volume 578.10494926 _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 Nd Nd0 1 0.33333300 0.66666700 0.50000000 1.0 Nd Nd1 1 0.66666700 0.33333300 0.50000000 1.0 Nd Nd2 1 0.00000000 0.81463139 0.00000000 1.0 Nd Nd3 1 0.18536861 0.18536861 0.00000000 1.0 Nd Nd4 1 0.81463139 0.00000000 0.00000000 1.0 Zr Zr5 1 0.00000000 0.44777446 0.50000000 1.0 Zr Zr6 1 0.55222554 0.55222554 0.50000000 1.0 Zr Zr7 1 0.44777446 1.00000000 0.50000000 1.0 P P8 1 1.00000000 0.64689660 0.50000000 1.0 P P9 1 0.35310340 0.35310340 0.50000000 1.0 P P10 1 0.64689660 0.00000000 0.50000000 1.0 P P11 1 0.51890166 0.68774298 0.00000000 1.0 P P12 1 0.31225702 0.83115868 0.00000000 1.0 P P13 1 0.16884132 0.48109834 0.00000000 1.0 P P14 1 0.48109834 0.16884132 0.00000000 1.0 P P15 1 0.68774298 0.51890166 0.00000000 1.0 P P16 1 0.83115868 0.31225702 0.00000000 1.0 P P17 1 0.00000000 0.17738245 0.50000000 1.0 P P18 1 0.82261755 0.82261755 0.50000000 1.0 P P19 1 0.17738245 0.00000000 0.50000000 1.0 Ir Ir20 1 0.50855563 0.86637674 0.00000000 1.0 Ir Ir21 1 0.13362326 0.64217989 0.00000000 1.0 Ir Ir22 1 0.35782011 0.49144437 0.00000000 1.0 Ir Ir23 1 0.49144437 0.35782011 0.00000000 1.0 Ir Ir24 1 0.86637674 0.50855563 0.00000000 1.0 Ir Ir25 1 0.64217989 0.13362326 0.00000000 1.0 Ir Ir26 1 1.00000000 0.28213735 0.00000000 1.0 Ir Ir27 1 0.71786265 0.71786265 0.00000000 1.0 Ir Ir28 1 0.28213735 0.00000000 0.00000000 1.0 Ir Ir29 1 0.62697272 0.80474636 0.50000000 1.0 Ir Ir30 1 0.19525364 0.82222537 0.50000000 1.0 Ir Ir31 1 0.17777463 0.37302728 0.50000000 1.0 Ir Ir32 1 0.37302728 0.17777463 0.50000000 1.0 Ir Ir33 1 0.80474636 0.62697272 0.50000000 1.0 Ir Ir34 1 0.82222537 0.19525364 0.50000000 1.0 Ir Ir35 1 0.00000000 0.00000000 0.50000000 1.0