# generated using pymatgen data_Pa2Zn16Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.72863733 _cell_length_b 6.72863623 _cell_length_c 6.65868621 _cell_angle_alpha 83.14886430 _cell_angle_beta 83.14887099 _cell_angle_gamma 83.72555798 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pa2Zn16Ir _chemical_formula_sum 'Pa2 Zn16 Ir1' _cell_volume 295.79408875 _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 Pa Pa0 1 0.64262219 0.64262219 0.66727387 1.0 Pa Pa1 1 0.34350031 0.34350031 0.34944557 1.0 Zn Zn2 1 0.84411620 0.35067774 0.35172659 1.0 Zn Zn3 1 0.10176285 0.10176285 0.09673660 1.0 Zn Zn4 1 0.89264542 0.89264542 0.90078760 1.0 Zn Zn5 1 0.00175515 0.00175515 0.49807994 1.0 Zn Zn6 1 0.01097233 0.49218020 0.00248754 1.0 Zn Zn7 1 0.49218020 0.01097233 0.00248754 1.0 Zn Zn8 1 0.29643401 0.70419124 0.00103077 1.0 Zn Zn9 1 0.70629144 0.99895030 0.29487954 1.0 Zn Zn10 1 0.00154499 0.29228946 0.71039978 1.0 Zn Zn11 1 0.70419124 0.29643401 0.00103077 1.0 Zn Zn12 1 0.29228946 0.00154499 0.71039978 1.0 Zn Zn13 1 0.99895030 0.70629144 0.29487954 1.0 Zn Zn14 1 0.14010471 0.65799456 0.64899578 1.0 Zn Zn15 1 0.65340652 0.65340652 0.16021037 1.0 Zn Zn16 1 0.65799456 0.14010471 0.64899578 1.0 Zn Zn17 1 0.35067774 0.84411620 0.35172659 1.0 Ir Ir18 1 0.36856039 0.36856039 0.80842904 1.0