# generated using pymatgen data_Zr5Pa3(P3Ir4)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.74753611 _cell_length_b 12.74753663 _cell_length_c 4.00273136 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999356 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr5Pa3(P3Ir4)4 _chemical_formula_sum 'Zr5 Pa3 P12 Ir16' _cell_volume 563.29983374 _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 Zr Zr0 1 0.45083594 0.45083594 0.00000000 1.0 Zr Zr1 1 0.54916406 0.00000000 0.00000000 1.0 Zr Zr2 1 0.00000000 0.54916406 0.00000000 1.0 Zr Zr3 1 0.66666700 0.33333300 0.00000000 1.0 Zr Zr4 1 0.33333300 0.66666700 0.00000000 1.0 Pa Pa5 1 0.81766675 0.81766675 0.50000000 1.0 Pa Pa6 1 0.18233325 1.00000000 0.50000000 1.0 Pa Pa7 1 1.00000000 0.18233325 0.50000000 1.0 P P8 1 0.64096995 0.64096995 0.00000000 1.0 P P9 1 0.35903005 1.00000000 0.00000000 1.0 P P10 1 1.00000000 0.35903005 0.00000000 1.0 P P11 1 0.48614617 0.31725655 0.50000000 1.0 P P12 1 0.68274345 0.16888962 0.50000000 1.0 P P13 1 0.83111038 0.51385383 0.50000000 1.0 P P14 1 0.51385383 0.83111038 0.50000000 1.0 P P15 1 0.16888962 0.68274345 0.50000000 1.0 P P16 1 0.82202949 0.00000000 0.00000000 1.0 P P17 1 0.00000000 0.82202949 0.00000000 1.0 P P18 1 0.31725655 0.48614617 0.50000000 1.0 P P19 1 0.17797051 0.17797051 0.00000000 1.0 Ir Ir20 1 0.18851117 0.36700686 0.00000000 1.0 Ir Ir21 1 0.17849569 0.81148883 0.00000000 1.0 Ir Ir22 1 0.82150431 0.63299314 0.00000000 1.0 Ir Ir23 1 0.81148883 0.17849569 0.00000000 1.0 Ir Ir24 1 0.36700686 0.18851117 0.00000000 1.0 Ir Ir25 1 0.14102831 0.49331885 0.50000000 1.0 Ir Ir26 1 0.35228954 0.85897169 0.50000000 1.0 Ir Ir27 1 0.50668115 0.64771046 0.50000000 1.0 Ir Ir28 1 0.64771046 0.50668115 0.50000000 1.0 Ir Ir29 1 0.85897169 0.35228954 0.50000000 1.0 Ir Ir30 1 0.49331885 0.14102831 0.50000000 1.0 Ir Ir31 1 0.00000000 0.00000000 0.00000000 1.0 Ir Ir32 1 0.71870028 1.00000000 0.50000000 1.0 Ir Ir33 1 1.00000000 0.71870028 0.50000000 1.0 Ir Ir34 1 0.63299314 0.82150431 0.00000000 1.0 Ir Ir35 1 0.28129972 0.28129972 0.50000000 1.0